UCSF

ZINC71892985

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2012 15 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) 1.10 5.76 -38.75 1 3 1 31 210.345 5
Lo Low (pH 4.5-6) 1.10 8.23 -112.85 2 3 2 33 211.353 5

Activity (Go SEA)

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