UCSF

ZINC39941555

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 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) -0.04 3.84 -5.49 2 3 0 46 222.675 2
Mid Mid (pH 6-8) -0.04 4.15 -44.83 3 3 1 48 223.683 2
Lo Low (pH 4.5-6) -0.04 4.16 -45.32 3 3 1 48 223.683 2

Activity (Go SEA)

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