UCSF

ZINC42094718

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.79 5.5 -9.6 1 6 0 62 333.432 9
Mid Mid (pH 6-8) 2.79 7.94 -40.27 2 6 1 63 334.44 9

Activity (Go SEA)

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