UCSF

ZINC36158275

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 14 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) 0.11 1.39 -52.06 4 4 1 81 194.189 2
Hi High (pH 8-9.5) 0.11 0.98 -8.24 3 4 0 79 193.181 2

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Rings

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