UCSF

ZINC12538639

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 22 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) 2.89 8.31 -11.68 0 6 0 79 297.314 2
Lo Low (pH 4.5-6) 2.89 8.57 -41.04 1 6 1 80 298.322 2

Activity (Go SEA)

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