UCSF

ZINC09489422

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2007 26 No

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) 4.60 7.89 -9.87 1 6 0 80 382.47 3
Mid Mid (pH 6-8) 5.06 5.92 -44.43 0 6 -1 83 381.462 3

Activity (Go SEA)

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