UCSF

ZINC22796597

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 26 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) 2.69 7.44 -39.23 2 5 1 46 354.474 7
Mid Mid (pH 6-8) 2.69 5.17 -8.96 1 5 0 45 353.466 7

Activity (Go SEA)

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