UCSF

ZINC37827842

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 Yes

Popular Name: (1S,2S)-2-[4-(2-thienylmethyl)piperazine-1-carbonyl]cyclopropanecarboxylic (1S,2S)-2-[4-(2-thienylmethyl)pi…

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Download: MOL2 SDF SMILES Flexibase

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) 1.20 6.19 -48.96 0 5 -1 64 293.368 4 ↓
Mid Mid (pH 6-8) 1.20 8.41 -70.73 1 5 0 65 294.376 4 ↓
Lo Low (pH 4.5-6) 1.20 6.43 -47.14 2 5 1 62 295.384 4 ↓

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

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