UCSF

ZINC53494934

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.89 7.57 -11.57 2 4 0 54 303.365 3
Lo Low (pH 4.5-6) 2.89 8.04 -43.62 3 4 1 55 304.373 3

Activity (Go SEA)

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