UCSF

ZINC71130741

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2011 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) 5.34 9.75 -35.48 2 3 1 43 280.432 4
Mid Mid (pH 6-8) 5.34 8.59 -5.78 1 3 0 38 279.424 4

Activity (Go SEA)

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