UCSF

ZINC34957272

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 3.72 2.29 -10.35 2 4 0 66 318.181 3
Hi High (pH 8-9.5) 3.72 3.47 -123.16 0 4 -2 71 316.165 3
Mid Mid (pH 6-8) 3.72 2.71 -46.06 1 4 -1 68 317.173 3
Mid Mid (pH 6-8) 3.72 3.05 -44.97 1 4 -1 69 317.173 3

Activity (Go SEA)

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