UCSF

ZINC44684046

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 3.52 7.88 -39.09 2 2 1 20 259.417 5
Hi High (pH 8-9.5) 3.52 6.64 -2.15 1 2 0 15 258.409 5
Mid Mid (pH 6-8) 3.52 9.02 -30.78 2 2 1 16 259.417 5
Lo Low (pH 4.5-6) 3.52 10.27 -111.41 3 2 2 21 260.425 5

Activity (Go SEA)

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