UCSF

ZINC43405477

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.15 4.37 -100.87 5 5 2 74 290.411 3
Hi High (pH 8-9.5) 1.15 3.98 -22.4 4 5 1 72 289.403 3
Mid Mid (pH 6-8) 1.15 3.98 -58.49 4 5 1 73 289.403 3

Activity (Go SEA)

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