UCSF

ZINC09158545

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 37 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) 5.92 3.49 -15.16 0 7 0 81 498.579 7
Lo Low (pH 4.5-6) 5.92 3.65 -34.09 1 7 1 83 499.587 7

Activity (Go SEA)

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