UCSF

ZINC27984947

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 24 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) 1.60 7.41 -13.69 0 6 0 64 321.384 3
Lo Low (pH 4.5-6) 1.60 7.84 -46.02 1 6 1 65 322.392 3

Activity (Go SEA)

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