UCSF

ZINC39676328

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 37 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) 1.84 7.69 -58.99 4 9 1 121 504.611 7
Hi High (pH 8-9.5) 2.30 5.11 -73.56 3 9 0 124 503.603 7

Activity (Go SEA)

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