UCSF

ZINC61799641

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 18 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) 1.68 4.09 -45.08 3 5 1 63 258.386 7
Mid Mid (pH 6-8) 1.68 2.2 -16.47 2 5 0 61 257.378 7

Activity (Go SEA)

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