UCSF

ZINC01747411

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 24 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) 3.18 9.62 -8.42 1 6 0 68 323.331 3
Ref Reference (pH 7) 3.18 9.27 -16.38 0 6 0 65 323.331 3
Mid Mid (pH 6-8) 3.18 9.83 -35.36 2 6 1 70 324.339 3
Mid Mid (pH 6-8) 3.18 9.59 -46.44 1 6 1 67 324.339 3

Activity (Go SEA)

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