UCSF

ZINC06593737

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2006 25 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) 3.34 10.43 -14.14 0 5 0 60 340.423 9
Lo Low (pH 4.5-6) 3.34 11.6 -40.52 1 5 1 61 341.431 9

Activity (Go SEA)

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