UCSF

ZINC09019285

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 33 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) 4.86 13.99 -58.68 0 7 -1 106 439.447 6
Mid Mid (pH 6-8) 4.27 2.16 -27.52 0 7 0 100 440.455 6

Activity (Go SEA)

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