UCSF

ZINC15976497

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 30 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) 4.14 7.83 -20.88 2 7 0 102 424.478 7
Hi High (pH 8-9.5) 4.14 7.9 -50.73 1 7 -1 104 423.47 7

Activity (Go SEA)

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