UCSF

ZINC19838606

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 21 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) 3.58 7.34 -45.12 3 4 1 54 291.415 5
Hi High (pH 8-9.5) 3.58 8.19 -76.56 2 4 0 57 290.407 5

Activity (Go SEA)

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