UCSF

ZINC36146170

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 Yes

Popular Name: (5R,6R,8S)-6-(4-ethylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2'- (5R,6R,8S)-6-(4-ethylpiperazine-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.40 6.49 -38.94 2 6 1 57 369.489 2 ↓
Hi High (pH 8-9.5) 2.40 4.27 -13.66 1 6 0 56 368.481 2 ↓
Mid Mid (pH 6-8) 2.40 6.48 -49.38 2 6 1 57 369.489 2 ↓
Lo Low (pH 4.5-6) 2.40 8.72 -92.1 3 6 2 58 370.497 2 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.