UCSF

ZINC37792544

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.50 4.43 -64.39 2 6 0 77 283.372 5
Hi High (pH 8-9.5) 0.50 2.48 -47.15 1 6 -1 76 282.364 5
Mid Mid (pH 6-8) 0.50 4.84 -71.75 2 6 0 77 283.372 5
Lo Low (pH 4.5-6) 0.50 2.85 -43.29 3 6 1 74 284.38 5
Lo Low (pH 4.5-6) 0.50 2.44 -40.06 3 6 1 74 284.38 5

Activity (Go SEA)

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