UCSF

ZINC37825482

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.57 7.15 -166.97 5 5 3 57 289.488 11
Hi High (pH 8-9.5) 0.57 6.83 -92.81 4 5 2 55 288.48 11

Activity (Go SEA)

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