UCSF

ZINC19921046

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 24 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) 3.22 9.51 -85.88 2 4 2 21 398.389 5
Mid Mid (pH 6-8) 3.22 9.41 -104.2 2 4 2 21 398.389 5
Mid Mid (pH 6-8) 3.22 7.14 -36.27 1 4 1 20 397.381 5

Activity (Go SEA)

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