UCSF

ZINC22147540

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 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) 4.20 10.46 -119.53 3 3 2 34 353.304 5
Mid Mid (pH 6-8) 4.20 8.29 -39.72 2 3 1 33 352.296 5
Mid Mid (pH 6-8) 4.20 9.44 -32.6 2 3 1 30 352.296 5

Activity (Go SEA)

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