UCSF

ZINC34570699

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 28 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) 4.30 10 -44.98 2 4 1 43 388.503 7
Hi High (pH 8-9.5) 4.30 7.77 -7.31 1 4 0 42 387.495 7

Activity (Go SEA)

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