UCSF

ZINC35680098

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) -2.69 0.88 -47.02 1 8 -1 105 267.265 3
Mid Mid (pH 6-8) -2.69 3 -38.27 2 8 0 106 268.273 3

Activity (Go SEA)

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