UCSF

ZINC13463756

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 26 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) 6.51 10.58 -50.32 0 3 -1 49 387.887 5
Mid Mid (pH 6-8) 6.05 11.47 -11.87 1 3 0 46 388.895 5

Activity (Go SEA)

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