UCSF

ZINC16753106

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 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) 4.00 11.34 -21.59 2 6 0 80 344.374 3
Mid Mid (pH 6-8) 4.00 11.8 -31.72 3 6 1 81 345.382 3

Activity (Go SEA)

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