UCSF

ZINC19632790

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 24 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) 3.82 10.62 -32.19 1 3 1 17 325.476 10
Hi High (pH 8-9.5) 3.82 7.87 -3.84 0 3 0 16 324.468 10
Mid Mid (pH 6-8) 3.82 10.9 -38.18 1 3 1 17 325.476 10

Activity (Go SEA)

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