UCSF

ZINC39964140

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 28 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) 3.35 13.65 -14.2 1 6 0 67 374.444 4
Mid Mid (pH 6-8) 3.35 14.11 -35.09 2 6 1 68 375.452 4

Activity (Go SEA)

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