UCSF

ZINC37630358

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 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) 0.96 4.72 -45.85 3 3 1 54 206.331 7
Mid Mid (pH 6-8) 0.96 4.38 -5.83 2 3 0 52 205.323 7

Activity (Go SEA)

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