UCSF

ZINC37211853

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 4.14 8.89 -3.61 1 1 0 12 324.287 6
Mid Mid (pH 6-8) 4.14 10.11 -45.01 2 1 1 17 325.295 6

Activity (Go SEA)

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