UCSF

ZINC61803923

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 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) 3.44 10.69 -33.89 1 3 1 31 276.4 5
Hi High (pH 8-9.5) 3.44 8.41 -10.2 0 3 0 30 275.392 5

Activity (Go SEA)

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