UCSF

ZINC06139269

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 28 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) 3.06 6.01 -16.17 2 6 0 88 415.902 6
Hi High (pH 8-9.5) 3.06 6.1 -50.85 1 6 -1 90 414.894 6
Lo Low (pH 4.5-6) 3.06 6.29 -52.49 3 6 1 89 416.91 6

Activity (Go SEA)

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