UCSF

ZINC19496891

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 28 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) 4.60 10.72 -104.96 3 3 2 29 390.587 5
Hi High (pH 8-9.5) 4.60 8.96 -34.6 2 3 1 28 389.579 5
Hi High (pH 8-9.5) 4.60 8.99 -31.62 2 3 1 28 389.579 5

Activity (Go SEA)

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