UCSF

ZINC29469051

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 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) 1.39 4.16 -49.13 1 4 -1 70 215.269 4
Lo Low (pH 4.5-6) 1.39 3.03 -9.5 2 4 0 67 216.277 4

Activity (Go SEA)

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