UCSF

ZINC36994049

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) 5.15 10.68 -33.98 2 2 1 30 286.439 6
Mid Mid (pH 6-8) 5.15 9.76 -3.48 1 2 0 25 285.431 6

Activity (Go SEA)

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