UCSF

ZINC42571369

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 14 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) 3.03 5.93 -30.64 2 2 1 16 199.362 6
Hi High (pH 8-9.5) 3.02 3.72 -0.6 1 2 0 15 198.354 6
Lo Low (pH 4.5-6) 3.03 4.93 -36.63 2 2 1 20 199.362 6
Lo Low (pH 4.5-6) 3.03 7.14 -104.83 3 2 2 21 200.37 6

Activity (Go SEA)

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