UCSF

ZINC52223068

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 18 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) -1.12 -0.98 -20.22 1 7 0 74 253.306 4
Mid Mid (pH 6-8) -1.12 1.36 -60.36 2 7 1 76 254.314 4

Activity (Go SEA)

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