UCSF

ZINC59262575

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 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) -1.08 7.27 -33.71 1 5 0 70 271.32 6
Mid Mid (pH 6-8) -1.08 5.11 -49.38 0 5 -1 69 270.312 6

Activity (Go SEA)

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