UCSF

ZINC09883615

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2007 20 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) 4.02 0.42 -37.22 1 2 1 17 263.364 2
Lo Low (pH 4.5-6) 4.02 0.53 -101.22 2 2 2 18 264.372 2

Activity (Go SEA)

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