UCSF

ZINC25511325

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 4.53 11.3 -25.02 1 6 0 78 424.522 8
Hi High (pH 8-9.5) 4.71 10.23 -50.06 0 6 -1 84 423.514 8

Activity (Go SEA)

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