UCSF

ZINC05155737

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 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) 5.41 9.38 -9.73 2 4 0 58 374.415 5
Hi High (pH 8-9.5) 5.41 10.2 -47.38 1 4 -1 61 373.407 5
Hi High (pH 8-9.5) 5.41 10.08 -59.15 1 4 -1 61 373.407 5

Activity (Go SEA)

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