UCSF

ZINC12161716

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2008 27 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) 3.30 8.96 -51.2 2 6 1 63 433.326 5
Hi High (pH 8-9.5) 3.30 6.48 -12.81 1 6 0 62 432.318 5

Activity (Go SEA)

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