UCSF

ZINC45028269

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 15 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) 0.97 3.33 -41.01 3 4 1 55 215.317 5
Mid Mid (pH 6-8) 0.97 3.15 -38.5 3 4 1 55 215.317 5
Mid Mid (pH 6-8) 0.97 4.49 -107.34 4 4 2 60 216.325 5

Activity (Go SEA)

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