UCSF

ZINC48052849

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2010 13 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) 1.92 5.22 -35.04 1 3 1 27 249.128 5
Hi High (pH 8-9.5) 1.92 2.84 -4.28 0 3 0 26 248.12 5

Activity (Go SEA)

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