UCSF

ZINC14225835

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 26 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) 2.63 5.59 -14.83 1 6 0 76 374.462 5
Mid Mid (pH 6-8) 2.63 5.66 -47.95 0 6 -1 78 373.454 5

Activity (Go SEA)

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