UCSF

ZINC45687432

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 0.77 6.77 -105.46 4 3 2 35 265.445 8
Hi High (pH 8-9.5) 0.77 6.15 -35.07 3 3 1 34 264.437 8
Hi High (pH 8-9.5) 0.77 3.97 -1.87 2 3 0 32 263.429 8
Lo Low (pH 4.5-6) 0.77 8.63 -237.21 5 3 3 37 266.453 8

Activity (Go SEA)

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