UCSF

ZINC19791458

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 24 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) 0.54 5.72 -13.84 1 7 0 76 328.372 6
Mid Mid (pH 6-8) 0.54 6.16 -39.9 2 7 1 78 329.38 6

Activity (Go SEA)

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