UCSF

ZINC58139013

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2011 17 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) 0.80 3.74 -8.68 0 4 0 33 238.331 3
Mid Mid (pH 6-8) 0.80 6.04 -42.04 1 4 1 34 239.339 3

Activity (Go SEA)

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