UCSF

ZINC42867674

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 13 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) 0.97 1.78 -39.31 2 3 1 33 200.331 6
Hi High (pH 8-9.5) 0.97 2.68 -34.13 2 3 1 29 200.331 6
Hi High (pH 8-9.5) 0.97 0.35 -4.82 1 3 0 28 199.323 6
Mid Mid (pH 6-8) 0.97 4.12 -98.91 3 3 2 34 201.339 6

Activity (Go SEA)

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