UCSF

ZINC21580448

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 28 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) 3.51 8.81 -57.43 1 7 0 93 424.284 7
Hi High (pH 8-9.5) 3.51 6.39 -48.9 0 7 -1 92 423.276 7
Mid Mid (pH 6-8) 3.05 7.27 -27.49 1 7 0 88 424.284 7
Lo Low (pH 4.5-6) 3.05 9.88 -74.78 2 7 1 90 425.292 7

Activity (Go SEA)

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