UCSF

ZINC31819758

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 28 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) 2.32 6.34 -14.05 1 7 0 78 379.416 5
Ref Reference (pH 7) 2.14 9.01 -13.66 1 7 0 75 379.416 5
Lo Low (pH 4.5-6) 2.14 9.46 -41.83 2 7 1 76 380.424 5

Activity (Go SEA)

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