UCSF

ZINC38329111

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 21 No

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) 1.36 10.26 -21.42 1 3 1 29 296.419 3
Lo Low (pH 4.5-6) 1.36 10.8 -85.41 2 3 2 30 297.427 3

Activity (Go SEA)

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