UCSF

ZINC01235057

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 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) 3.48 1.48 -5.42 0 1 0 12 197.281 2
Lo Low (pH 4.5-6) 3.48 1.54 -29.29 1 1 1 14 198.289 2

Activity (Go SEA)

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