UCSF

ZINC13717409

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 19 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) 2.47 5.3 -13.89 2 4 0 58 262.353 5

Activity (Go SEA)

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