UCSF

ZINC00496460

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 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) 2.40 4.82 -14.46 0 6 0 70 283.287 4
Lo Low (pH 4.5-6) 2.40 5.37 -37.06 1 6 1 72 284.295 4

Activity (Go SEA)

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