UCSF

ZINC34469499

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 13 No

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) 1.05 2.19 -6.33 1 4 0 50 183.138 0
Mid Mid (pH 6-8) 1.05 3.25 -51.02 0 4 -1 53 182.13 0

Activity (Go SEA)

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