UCSF

ZINC44684601

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 2.79 5.07 -44.09 3 3 1 40 275.416 6
Hi High (pH 8-9.5) 2.79 4.02 -4 2 3 0 35 274.408 6
Mid Mid (pH 6-8) 2.79 6.3 -35.35 3 3 1 37 275.416 6
Lo Low (pH 4.5-6) 2.79 7.32 -115.62 4 3 2 41 276.424 6

Activity (Go SEA)

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