UCSF

ZINC08535895

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2006 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) 6.06 9.76 -50.88 0 3 -1 49 373.86 5
Mid Mid (pH 6-8) 5.60 10.87 -11.23 1 3 0 46 374.868 5

Activity (Go SEA)

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