UCSF

ZINC20047812

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 2.02 5.12 -39.01 3 4 1 46 270.441 8
Hi High (pH 8-9.5) 2.02 3.28 -7.15 2 4 0 44 269.433 8
Mid Mid (pH 6-8) 2.02 6.52 -106.85 4 4 2 50 271.449 8
Mid Mid (pH 6-8) 2.02 4.26 -44.94 3 4 1 49 270.441 8

Activity (Go SEA)

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