UCSF

ZINC42953093

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 19 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) 0.85 3.63 -57.04 3 4 1 51 329.262 5
Mid Mid (pH 6-8) 0.85 6.16 -122.35 4 4 2 52 330.27 5

Activity (Go SEA)

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