UCSF

ZINC19791523

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 30 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) 5.72 10.55 -40.61 2 4 1 55 420.451 6
Mid Mid (pH 6-8) 5.72 11.33 -21.37 1 4 0 58 419.443 6

Activity (Go SEA)

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