UCSF

ZINC05651788

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 21 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) 2.31 7.89 -32.02 1 5 1 53 287.339 4
Mid Mid (pH 6-8) 2.31 7.48 -6.05 0 5 0 52 286.331 4

Activity (Go SEA)

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