UCSF

ZINC01232932

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 27 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 4.84 -47.83 1 6 -1 94 421.907 6
Mid Mid (pH 6-8) 4.08 4.96 -121.04 0 6 -2 96 420.899 6
Mid Mid (pH 6-8) 4.08 4.89 -46.19 1 6 -1 94 421.907 6
Lo Low (pH 4.5-6) 4.08 4.74 -14.19 2 6 0 92 422.915 6

Activity (Go SEA)

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