UCSF

ZINC30007222

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2009 19 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) 2.22 5.92 -42.43 4 3 1 60 255.341 6
Mid Mid (pH 6-8) 2.22 4.72 -10.85 3 3 0 55 254.333 6

Activity (Go SEA)

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