UCSF

ZINC44269311

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) 4.31 8.49 -25.63 3 3 1 45 278.807 4
Mid Mid (pH 6-8) 4.31 8.37 -6.6 2 3 0 44 277.799 4

Activity (Go SEA)

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