UCSF

ZINC05177930

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 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) 3.88 5.67 -12.01 1 3 0 46 286.278 4
Mid Mid (pH 6-8) 4.34 4.81 -38.55 0 3 -1 49 285.27 4

Activity (Go SEA)

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