UCSF

ZINC27971668

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 26 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) 2.22 4.46 -50.09 1 8 -1 108 390.47 7
Mid Mid (pH 6-8) 3.14 4.88 -22.94 2 8 0 109 391.478 6

Activity (Go SEA)

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