UCSF

ZINC21053464

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 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) 3.43 8.08 -37.52 2 3 1 29 304.483 6
Mid Mid (pH 6-8) 3.43 9.39 -107.68 3 3 2 34 305.491 6

Activity (Go SEA)

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