UCSF

ZINC42681718

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 19 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) 1.07 7.48 -81.4 1 6 0 74 264.329 4
Mid Mid (pH 6-8) 1.07 7.6 -89.67 2 6 1 75 265.337 4

Activity (Go SEA)

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