UCSF

ZINC44089489

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 20 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) 1.34 5.43 -9.3 0 5 0 50 296.754 4
Lo Low (pH 4.5-6) 1.34 7.55 -46.41 1 5 1 51 297.762 4

Activity (Go SEA)

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