UCSF

ZINC44683909

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 3.95 7.75 -37.56 2 2 1 20 279.492 5
Mid Mid (pH 6-8) 3.95 10.09 -108.8 3 2 2 21 280.5 5
Mid Mid (pH 6-8) 3.95 8.97 -29.78 2 2 1 16 279.492 5

Activity (Go SEA)

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