UCSF

ZINC33775404

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 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) 4.81 16.39 -51.59 2 6 1 64 478.686 12
Hi High (pH 8-9.5) 4.81 14.1 -19.45 1 6 0 63 477.678 12

Activity (Go SEA)

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