UCSF

ZINC40566180

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 31 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) 5.56 11.43 -42.59 3 3 1 46 447.443 10
Mid Mid (pH 6-8) 5.56 10.28 -7.51 2 3 0 41 446.435 10

Activity (Go SEA)

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