UCSF

ZINC04847591

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 23 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) 3.63 7.93 -8.99 1 5 0 48 331.803 6
Mid Mid (pH 6-8) 3.63 8.33 -27.6 2 5 1 49 332.811 6

Activity (Go SEA)

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