UCSF

ZINC19788138

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 3.52 8.22 -33.9 1 2 1 8 267.824 4
Mid Mid (pH 6-8) 3.52 8.54 -38.81 1 2 1 8 267.824 4
Mid Mid (pH 6-8) 3.52 6.22 -1.82 0 2 0 6 266.816 4

Activity (Go SEA)

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