UCSF

ZINC19933720

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 0.72 4.27 -106.37 4 4 2 45 265.401 6
Mid Mid (pH 6-8) 0.72 4.26 -88.39 4 4 2 45 265.401 6
Mid Mid (pH 6-8) 0.72 1.95 -45.74 3 4 1 43 264.393 6

Activity (Go SEA)

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