UCSF

ZINC43247734

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 2.65 5.06 -37.97 3 2 1 31 253.435 6
Hi High (pH 8-9.5) 2.65 6.41 -27.36 3 2 1 30 253.435 6
Hi High (pH 8-9.5) 2.65 4.74 -1.44 2 2 0 29 252.427 6
Lo Low (pH 4.5-6) 2.65 6.73 -101.79 4 2 2 32 254.443 6

Activity (Go SEA)

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