UCSF

ZINC42162288

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 18 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) -0.13 3.37 -49.28 2 6 -1 99 248.262 4
Lo Low (pH 4.5-6) -0.13 4 -46.75 3 6 0 101 249.27 4

Activity (Go SEA)

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