UCSF

ZINC01269753

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 29 No

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) 1.50 1.72 -48.87 1 9 -1 123 397.363 5
Hi High (pH 8-9.5) 1.50 2.63 -109.81 0 9 -2 126 396.355 5
Lo Low (pH 4.5-6) 1.05 3.49 -15.77 2 9 0 120 398.371 5

Activity (Go SEA)

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