UCSF

ZINC69629984

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 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) 1.86 5.59 -90.6 4 4 2 49 286.46 6
Hi High (pH 8-9.5) 1.86 3.85 -30.84 3 4 1 48 285.452 6

Activity (Go SEA)

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