UCSF

ZINC50114237

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 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) 0.65 1.63 -10.21 2 5 0 69 259.309 3
Mid Mid (pH 6-8) 1.11 0.72 -41.25 2 5 0 74 259.309 3

Activity (Go SEA)

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