UCSF

ZINC39912330

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 37 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.23 10.95 -15.39 2 7 0 88 495.579 8
Hi High (pH 8-9.5) 5.00 11.76 -53.56 0 7 -1 87 494.571 8
Hi High (pH 8-9.5) 5.00 11.41 -58.67 0 7 -1 87 494.571 8
Hi High (pH 8-9.5) 5.23 11.89 -40.48 1 7 -1 91 494.571 8

Activity (Go SEA)

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