UCSF

ZINC13214684

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 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) 4.31 10.01 -5.86 0 1 0 13 265.381 3
Lo Low (pH 4.5-6) 4.31 10.31 -34.01 1 1 1 14 266.389 3

Activity (Go SEA)

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