UCSF

ZINC05123817

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 22 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) 4.08 6.15 -8.82 2 4 0 58 294.354 4
Hi High (pH 8-9.5) 4.08 6.98 -46.05 1 4 -1 61 293.346 4
Mid Mid (pH 6-8) 4.08 6.92 -57.69 1 4 -1 61 293.346 4
Mid Mid (pH 6-8) 4.08 6.32 -7.2 2 4 0 58 294.354 4

Activity (Go SEA)

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