UCSF

ZINC06600496

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2006 25 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) 3.48 11.9 -107.09 3 3 2 30 336.479 7
Hi High (pH 8-9.5) 3.48 10.69 -37.47 2 3 1 26 335.471 7

Activity (Go SEA)

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