UCSF

ZINC45647904

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 0.57 1.48 -54.37 3 5 1 66 260.383 4
Mid Mid (pH 6-8) 0.57 0.27 -8.35 2 5 0 61 259.375 4

Activity (Go SEA)

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