UCSF

ZINC41194276

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 1.91 4.83 -45.41 0 6 -1 74 271.3 2
Mid Mid (pH 6-8) 1.45 5.9 -13.05 1 6 0 71 272.308 2

Activity (Go SEA)

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