UCSF

ZINC09803610

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2007 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) 2.17 0.65 -19.28 1 8 0 90 355.398 5
Mid Mid (pH 6-8) 2.17 0.94 -55.01 2 8 1 92 356.406 5

Activity (Go SEA)

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