UCSF

ZINC13424933

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 23 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) -1.52 -3.48 -147.6 4 12 -2 192 345.208 4
Lo Low (pH 4.5-6) -1.52 -3.2 -96.95 5 12 -1 193 346.216 4
Lo Low (pH 4.5-6) -1.52 -7.37 -108.87 5 12 -1 193 346.216 4

Activity (Go SEA)

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