UCSF

ZINC12577680

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 25 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) 3.17 10.03 -22.5 1 6 0 69 356.451 5
Mid Mid (pH 6-8) 3.17 10.34 -42.77 2 6 1 70 357.459 5

Activity (Go SEA)

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