UCSF

ZINC09152387

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 31 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) 6.05 15.87 -42.62 2 4 0 62 432.951 8
Mid Mid (pH 6-8) 6.05 14.5 -51.74 1 4 -1 57 431.943 8

Activity (Go SEA)

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