UCSF

ZINC43248252

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) 1.96 5.19 -42.65 3 3 1 40 297.488 6
Hi High (pH 8-9.5) 1.96 4.81 -2.24 2 3 0 38 296.48 6
Lo Low (pH 4.5-6) 1.96 7.3 -114.13 4 3 2 41 298.496 6

Activity (Go SEA)

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