UCSF

ZINC72699124

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2012 23 Yes

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) 2.26 5.02 -7.33 1 5 0 53 337.489 6
Mid Mid (pH 6-8) 2.26 7.23 -44.92 2 5 1 54 338.497 6

Activity (Go SEA)

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