UCSF

ZINC09532180

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2007 33 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) 5.49 13.41 -41.88 2 5 0 71 470.903 8
Hi High (pH 8-9.5) 5.49 12.04 -43.87 1 5 -1 66 469.895 8

Activity (Go SEA)

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