UCSF

ZINC39687499

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 39 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) 3.18 11.65 -101.96 4 8 2 97 533.648 5
Mid Mid (pH 6-8) 3.18 11.22 -59.69 3 8 1 95 532.64 5

Activity (Go SEA)

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