UCSF

ZINC43249008

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 0.86 1.49 -38.19 5 4 1 74 270.422 7
Hi High (pH 8-9.5) 0.86 1.04 -6.78 4 4 0 72 269.414 7
Hi High (pH 8-9.5) 0.86 2.11 -31.53 5 4 1 74 270.422 7
Lo Low (pH 4.5-6) 0.86 2.68 -110.56 6 4 2 75 271.43 7

Activity (Go SEA)

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