UCSF

ZINC45686476

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 No

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) 1.79 8.99 -58.92 2 6 1 89 281.332 9
Mid Mid (pH 6-8) 1.79 7.78 -11.05 1 6 0 84 280.324 9

Activity (Go SEA)

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