UCSF

ZINC12168042

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2008 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.97 12.33 -48.24 2 6 1 63 444.555 7
Hi High (pH 8-9.5) 3.97 9.86 -10.77 1 6 0 62 443.547 7

Activity (Go SEA)

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