UCSF

ZINC57912836

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 20 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) 2.18 2.97 -10.2 1 4 0 36 291.386 8
Lo Low (pH 4.5-6) 2.18 5.08 -36.57 2 4 1 37 292.394 8

Activity (Go SEA)

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