UCSF

ZINC39680782

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 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) 2.08 8.02 -59.35 3 6 1 79 462.401 4
Lo Low (pH 4.5-6) 2.08 8.48 -108.65 4 6 2 80 463.409 4

Activity (Go SEA)

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