UCSF

ZINC23639407

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 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) 2.15 7.18 -9.48 0 4 0 36 315.804 3
Lo Low (pH 4.5-6) 2.15 9.44 -44.63 1 4 1 38 316.812 3

Activity (Go SEA)

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