UCSF

ZINC33889866

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 32 No

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) 0.56 10.66 -55 1 7 -1 113 428.468 7
Lo Low (pH 4.5-6) 0.56 11.32 -39.64 2 7 0 118 429.476 7

Activity (Go SEA)

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