UCSF

ZINC36089901

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 23 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) 3.15 6.94 -10.67 2 5 0 82 305.337 3
Hi High (pH 8-9.5) 3.15 6.52 -41.14 1 5 -1 80 304.329 3
Hi High (pH 8-9.5) 3.15 6.49 -40.65 1 5 -1 80 304.329 3

Activity (Go SEA)

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