UCSF

ZINC13099335

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2008 13 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) 0.55 4.56 -54.23 0 3 -1 52 176.195 3
Ref Reference (pH 7) 0.55 5.05 -51.68 0 3 -1 52 176.195 3
Lo Low (pH 4.5-6) 0.55 5.86 -34.18 1 3 0 54 177.203 3
Lo Low (pH 4.5-6) 0.55 5.54 -36.24 1 3 0 54 177.203 3

Activity (Go SEA)

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