UCSF

ZINC05527674

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 20 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) 4.50 9.05 -7.42 2 2 0 39 298.436 3
Hi High (pH 8-9.5) 4.50 9.1 -39.16 1 2 -1 36 297.428 3
Lo Low (pH 4.5-6) 4.50 9.47 -30.18 3 2 1 40 299.444 3

Activity (Go SEA)

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