UCSF

ZINC34820353

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 36 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) 5.74 15.6 -50.21 1 7 -1 100 478.528 9
Hi High (pH 8-9.5) 6.20 14.15 -121.89 0 7 -2 103 477.52 9

Activity (Go SEA)

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