UCSF

ZINC06293259

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 17 No

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) -2.85 -3 -341.22 1 10 -4 174 290.057 5
Mid Mid (pH 6-8) -2.85 -4.15 -215.27 2 10 -3 171 291.065 5
Mid Mid (pH 6-8) -2.85 -4.14 -220.13 2 10 -3 171 291.065 5
Lo Low (pH 4.5-6) -2.85 -5.3 -109.21 3 10 -2 169 292.073 5

Activity (Go SEA)

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