UCSF

ZINC41650612

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 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) 3.81 9.6 -10.8 0 5 0 48 386.451 2
Mid Mid (pH 6-8) 3.81 12.58 -48.5 1 5 1 49 387.459 2

Activity (Go SEA)

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