UCSF

ZINC43247860

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 2.12 2.82 -41.32 3 3 1 40 269.434 4
Hi High (pH 8-9.5) 2.12 2.55 -2.93 2 3 0 38 268.426 4
Lo Low (pH 4.5-6) 2.12 4.87 -103.5 4 3 2 41 270.442 4

Activity (Go SEA)

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