UCSF

ZINC35676566

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 19 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) 2.62 3.34 -11.87 1 5 0 72 273.317 3
Mid Mid (pH 6-8) 3.15 3.07 -12.61 2 5 0 74 273.317 3

Activity (Go SEA)

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