UCSF

ZINC06134909

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 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) 5.01 6.21 -45.77 1 4 -1 64 323.397 4
Hi High (pH 8-9.5) 5.50 7.17 -41.43 1 4 -1 68 323.397 3
Hi High (pH 8-9.5) 5.50 7.59 -40.82 1 4 -1 68 323.397 3
Hi High (pH 8-9.5) 5.01 6.98 -102.6 0 4 -2 67 322.389 4
Lo Low (pH 4.5-6) 5.01 6.79 -16.1 2 4 0 62 324.405 4

Activity (Go SEA)

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