UCSF

ZINC13634307

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 22 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) 3.56 9.17 -8.95 1 4 0 54 352.246 3
Mid Mid (pH 6-8) 3.57 8.15 -44.3 0 4 -1 56 351.238 4
Lo Low (pH 4.5-6) 3.57 8.72 -28.48 2 4 1 56 353.254 3

Activity (Go SEA)

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