UCSF

ZINC05162438

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 0.86 3.2 -44.13 6 4 1 83 256.329 4
Hi High (pH 8-9.5) 0.86 2.87 -9.29 5 4 0 81 255.321 4

Activity (Go SEA)

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