UCSF

ZINC43914609

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 2.30 5.12 -33.3 2 4 1 35 271.425 5
Hi High (pH 8-9.5) 2.30 3.26 -2.51 1 4 0 34 270.417 5
Hi High (pH 8-9.5) 2.30 4.47 -35.4 2 4 1 38 271.425 5

Activity (Go SEA)

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