UCSF

ZINC65565737

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 22 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) 1.29 2.03 -35.75 3 4 1 48 319.347 6
Mid Mid (pH 6-8) 1.29 -0.32 -7.55 2 4 0 47 318.339 6
Mid Mid (pH 6-8) 1.29 1.98 -42.37 3 4 1 48 319.347 6

Activity (Go SEA)

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