UCSF

ZINC19928422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 16 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) 1.80 5.35 -17.91 1 3 0 50 234.276 3
Mid Mid (pH 6-8) 1.80 6.28 -52.47 0 3 -1 53 233.268 3

Activity (Go SEA)

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