UCSF

ZINC45658820

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.92 3.92 -28.88 3 4 1 43 270.441 5
Hi High (pH 8-9.5) 0.92 4.17 -27.19 3 4 1 43 270.441 5
Hi High (pH 8-9.5) 0.92 2.2 -46.28 3 4 1 43 270.441 5
Mid Mid (pH 6-8) 0.92 4.28 -103.38 4 4 2 45 271.449 5

Activity (Go SEA)

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