UCSF

ZINC43249000

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 1.26 2.16 -46.46 5 4 1 74 284.449 7
Hi High (pH 8-9.5) 1.26 1.11 -9.32 4 4 0 72 283.441 7
Hi High (pH 8-9.5) 1.26 2.79 -29.66 5 4 1 74 284.449 7
Lo Low (pH 4.5-6) 1.26 3.09 -107.92 6 4 2 75 285.457 7

Activity (Go SEA)

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