UCSF

ZINC39762450

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 23 No

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) 3.90 8.84 -13.82 1 5 0 68 325.393 7
Hi High (pH 8-9.5) 3.90 8.64 -49.31 0 5 -1 66 324.385 7

Activity (Go SEA)

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