UCSF

ZINC34222300

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.22 9.46 -11.09 2 5 0 78 448.729 1
Ref Reference (pH 7) 6.22 9.15 -11.33 2 5 0 78 448.729 1
Mid Mid (pH 6-8) 6.68 7.37 -49.96 1 5 -1 81 447.721 1
Mid Mid (pH 6-8) 6.68 7.36 -44.24 1 5 -1 81 447.721 1
Mid Mid (pH 6-8) 7.14 5.61 -113.21 0 5 -2 84 446.713 1
Mid Mid (pH 6-8) 6.68 7.87 -47.89 1 5 -1 81 447.721 1
Mid Mid (pH 6-8) 6.68 7.66 -43.52 1 5 -1 81 447.721 1
Mid Mid (pH 6-8) 7.14 6.11 -110.84 0 5 -2 84 446.713 1

Activity (Go SEA)

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