UCSF

ZINC39455313

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2010 27 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) 2.25 6.02 -87.72 3 5 2 36 382.637 7
Hi High (pH 8-9.5) 2.25 5.83 -76.02 3 5 2 36 382.637 7
Mid Mid (pH 6-8) 2.25 5.73 -87.82 3 5 2 36 382.637 7
Lo Low (pH 4.5-6) 2.25 7.95 -164.59 4 5 3 37 383.645 7
Lo Low (pH 4.5-6) 2.25 8.25 -167.77 4 5 3 37 383.645 7

Activity (Go SEA)

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