UCSF

ZINC19966004

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 16 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) 2.71 5.17 -55.03 0 4 -1 56 239.682 2
Lo Low (pH 4.5-6) 2.71 5.48 -31.68 1 4 0 58 240.69 2

Activity (Go SEA)

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