UCSF

ZINC06144468

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 34 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) 2.29 7.84 -22.98 2 9 0 115 477.546 6
Hi High (pH 8-9.5) 2.29 7.91 -55.77 1 9 -1 117 476.538 6
Lo Low (pH 4.5-6) 2.29 8.13 -45.89 3 9 1 116 478.554 6

Activity (Go SEA)

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