UCSF

ZINC05200938

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 30 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) 3.30 5.44 -15.29 3 7 0 99 407.47 6
Ref Reference (pH 7) 3.30 4.76 -13.62 3 7 0 99 407.47 6
Hi High (pH 8-9.5) 3.30 5.63 -37.78 2 7 -1 102 406.462 6
Hi High (pH 8-9.5) 3.07 5.53 -44.36 1 7 -1 98 406.462 6
Hi High (pH 8-9.5) 3.07 5.05 -51.7 1 7 -1 98 406.462 6

Activity (Go SEA)

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