UCSF

ZINC20475254

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 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) 2.80 4.08 -49.03 3 2 1 31 292.266 6
Lo Low (pH 4.5-6) 2.80 6.34 -128.52 4 2 2 32 293.274 6

Activity (Go SEA)

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