UCSF

ZINC19530862

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 25 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) 3.41 10.4 -37.19 2 5 1 56 338.431 7
Hi High (pH 8-9.5) 3.41 8.14 -6.64 1 5 0 54 337.423 7

Activity (Go SEA)

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