UCSF

ZINC20120706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 14 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) 1.31 2.99 -37.68 2 3 1 29 201.334 5
Lo Low (pH 4.5-6) 1.31 4.98 -113.72 3 3 2 30 202.342 5

Activity (Go SEA)

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