UCSF

ZINC45909932

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.82 8.35 -10.1 0 4 0 42 348.855 5
Lo Low (pH 4.5-6) 3.82 10.41 -51.22 1 4 1 44 349.863 5

Activity (Go SEA)

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