UCSF

ZINC45648068

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 2.18 1.96 -56.68 4 4 1 74 287.43 5
Hi High (pH 8-9.5) 2.18 1.57 -9.52 3 4 0 72 286.422 5

Activity (Go SEA)

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