UCSF

ZINC02721295

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 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) 2.78 7.82 -12.33 1 6 0 65 353.422 6
Mid Mid (pH 6-8) 2.78 8.38 -36.27 2 6 1 67 354.43 6

Activity (Go SEA)

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