UCSF

ZINC09378165

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 25 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) 2.18 -4.77 -18.28 3 7 0 86 335.367 1
Ref Reference (pH 7) 2.31 8.82 -42.63 4 7 1 86 336.375 1
Mid Mid (pH 6-8) 2.18 8.86 -40.62 4 7 1 88 336.375 1

Activity (Go SEA)

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