UCSF

ZINC44675988

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 18 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) 3.19 7.33 -117.94 5 2 2 44 246.398 4
Mid Mid (pH 6-8) 3.19 7.52 -34.19 4 2 1 43 245.39 4

Activity (Go SEA)

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