UCSF

ZINC49216693

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 15 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) 3.53 6.71 -30.71 2 2 1 16 213.389 7
Hi High (pH 8-9.5) 3.53 4.5 -0.56 1 2 0 15 212.381 7
Lo Low (pH 4.5-6) 3.53 7.92 -105.08 3 2 2 21 214.397 7
Lo Low (pH 4.5-6) 3.53 5.71 -36.6 2 2 1 20 213.389 7

Activity (Go SEA)

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