UCSF

ZINC20054239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 17 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) 1.36 4.73 -34.25 3 4 1 46 242.387 7
Mid Mid (pH 6-8) 1.36 3.94 -39.99 3 4 1 49 242.387 7
Mid Mid (pH 6-8) 1.36 6.06 -114.47 4 4 2 50 243.395 7

Activity (Go SEA)

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