UCSF

ZINC40854102

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 19 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) 1.27 2.72 -45.73 4 5 1 75 265.333 4
Mid Mid (pH 6-8) 1.27 2.39 -8.74 3 5 0 74 264.325 4

Activity (Go SEA)

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