UCSF

ZINC01352926

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 24 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) 3.05 7.26 -15.19 2 5 0 71 341.367 4
Lo Low (pH 4.5-6) 3.05 7.06 -34.02 3 5 1 72 342.375 4

Activity (Go SEA)

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