UCSF

ZINC12428237

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 11 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) -1.40 2.44 -16.25 3 6 0 93 151.129 0
Mid Mid (pH 6-8) -1.40 2.86 -56.42 4 6 1 94 152.137 0
Lo Low (pH 4.5-6) -1.40 2.66 -46.18 4 6 1 94 152.137 0
Lo Low (pH 4.5-6) -1.40 3.12 -121.35 5 6 2 96 153.145 0

Activity (Go SEA)

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