UCSF

ZINC12449407

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 24 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) 0.66 8.59 -45.68 1 6 1 64 334.44 8
Lo Low (pH 4.5-6) 0.66 8.87 -104.13 2 6 2 65 335.448 8

Activity (Go SEA)

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