UCSF

ZINC37925359

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 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) 0.72 4.17 -99.16 4 3 2 41 200.326 7
Hi High (pH 8-9.5) 0.72 4.71 -39.3 3 3 1 44 199.318 7

Activity (Go SEA)

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