UCSF

ZINC36984879

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 3.44 8.1 -52.06 2 3 1 35 355.227 6
Mid Mid (pH 6-8) 3.44 6.73 -8.63 1 3 0 30 354.219 6

Activity (Go SEA)

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