UCSF

ZINC43248620

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) 0.99 1.35 -44.98 4 4 1 60 256.395 6
Hi High (pH 8-9.5) 0.99 0.62 -7.65 3 4 0 58 255.387 6
Lo Low (pH 4.5-6) 0.99 3.19 -116.07 5 4 2 61 257.403 6

Activity (Go SEA)

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