UCSF

ZINC22118315

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 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) 1.14 1.73 -28.47 1 5 1 51 263.346 1
Hi High (pH 8-9.5) 1.14 0.96 -12.45 0 5 0 49 262.338 1
Mid Mid (pH 6-8) 1.14 4.19 -99.18 2 5 2 52 264.354 1
Mid Mid (pH 6-8) 1.14 4.57 -55.45 1 5 1 51 263.346 1

Activity (Go SEA)

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