UCSF

ZINC44682290

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 0.41 1.21 -44.9 3 6 1 83 304.417 4
Mid Mid (pH 6-8) 0.87 -0.85 -57.48 2 6 0 87 303.409 4

Activity (Go SEA)

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