UCSF

ZINC43240508

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 2.86 4.5 -42.29 3 3 1 40 297.488 5
Hi High (pH 8-9.5) 2.86 4.21 -2.54 2 3 0 38 296.48 5
Lo Low (pH 4.5-6) 2.86 5.95 -107.58 4 3 2 41 298.496 5

Activity (Go SEA)

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