UCSF

ZINC29931985

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 31 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) 3.09 10.92 -10.69 1 5 0 47 421.516 6
Lo Low (pH 4.5-6) 3.09 13.16 -37.06 2 5 1 48 422.524 6

Activity (Go SEA)

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