UCSF

ZINC42764882

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.79 7.04 -6.44 0 2 0 27 254.255 5
Mid Mid (pH 6-8) 2.79 9.12 -48.15 1 2 1 28 255.263 5

Activity (Go SEA)

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