UCSF

ZINC34872940

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 22 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) 2.17 7.14 -37.9 4 3 1 51 299.438 8
Mid Mid (pH 6-8) 2.17 7.43 -122.12 5 3 2 52 300.446 8
Mid Mid (pH 6-8) 2.17 5.07 -45.91 4 3 1 51 299.438 8

Activity (Go SEA)

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