UCSF

ZINC37085359

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 Yes

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) 3.11 6.81 -34.18 2 4 1 52 266.361 7
Hi High (pH 8-9.5) 3.11 6.47 -7.76 1 4 0 48 265.353 7

Activity (Go SEA)

Rings

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