UCSF

ZINC37240899

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 2.21 5.84 -40.17 2 4 1 38 291.415 5
Lo Low (pH 4.5-6) 2.21 8.08 -110.66 3 4 2 40 292.423 5

Activity (Go SEA)

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