UCSF

ZINC36146175

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (5R,6S,8R)-6-(4-ethylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2'- (5R,6S,8R)-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 5.52 -28.65 2 6 1 57 369.489 2 ↓
Hi High (pH 8-9.5) 2.40 3.26 -7.2 1 6 0 56 368.481 2 ↓
Mid Mid (pH 6-8) 2.40 5.43 -41.83 2 6 1 57 369.489 2 ↓
Lo Low (pH 4.5-6) 2.40 7.69 -81.03 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.