UCSF

ZINC58098800

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2011 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) 3.72 7.3 -48.09 3 3 1 45 299.225 4
Mid Mid (pH 6-8) 3.72 6.23 -6.09 2 3 0 41 298.217 4

Activity (Go SEA)

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