UCSF

ZINC20920764

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 29 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) 3.83 14.49 -119.4 2 4 2 29 399.623 4
Mid Mid (pH 6-8) 3.83 12.24 -45.83 1 4 1 28 398.615 4
Mid Mid (pH 6-8) 3.83 12.19 -44.23 1 4 1 28 398.615 4

Activity (Go SEA)

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