UCSF

ZINC40169769

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 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) 1.63 8.44 -5.14 0 4 0 42 262.284 4
Mid Mid (pH 6-8) 1.63 8.84 -34.38 1 4 1 44 263.292 4

Activity (Go SEA)

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