UCSF

ZINC43247751

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 2.62 4.15 -37.78 3 2 1 31 241.424 5
Hi High (pH 8-9.5) 2.62 6.03 -29.24 3 2 1 30 241.424 5
Hi High (pH 8-9.5) 2.62 3.84 -1.55 2 2 0 29 240.416 5
Lo Low (pH 4.5-6) 2.62 6.28 -100.87 4 2 2 32 242.432 5

Activity (Go SEA)

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