UCSF

ZINC20421628

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 1.00 7.96 -46.17 2 5 1 48 394.539 5
Mid Mid (pH 6-8) 1.00 7.9 -44.81 2 5 1 48 394.539 5
Mid Mid (pH 6-8) 1.00 5.58 -12.36 1 5 0 47 393.531 5

Activity (Go SEA)

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