UCSF

ZINC41512853

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 31 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) 4.28 10.38 -48.38 2 6 1 73 424.517 5
Mid Mid (pH 6-8) 4.28 10.95 -32.31 1 6 0 76 423.509 5

Activity (Go SEA)

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