UCSF

ZINC36769881

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 0.12 3.2 -8.35 3 6 0 84 250.302 3
Mid Mid (pH 6-8) 0.12 3.65 -37.3 4 6 1 85 251.31 3

Activity (Go SEA)

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