UCSF

ZINC33722570

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 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) 5.24 10.81 -16.39 1 5 0 54 435.593 7
Lo Low (pH 4.5-6) 5.24 13.16 -56.61 2 5 1 56 436.601 7

Activity (Go SEA)

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