UCSF

ZINC26507574

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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) -1.15 6.4 -112.32 0 6 -2 102 263.18 3
Mid Mid (pH 6-8) -1.15 5.51 -57.32 1 6 -1 105 264.188 3

Activity (Go SEA)

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