UCSF

ZINC30057239

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2009 29 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) 3.76 11.23 -49.8 2 5 1 56 388.491 6
Hi High (pH 8-9.5) 3.76 8.99 -15.81 1 5 0 54 387.483 6

Activity (Go SEA)

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