UCSF

ZINC25409231

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 22 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) 3.63 10.18 -38.11 2 3 1 34 360.275 3
Mid Mid (pH 6-8) 3.63 7.8 -7.2 1 3 0 32 359.267 3

Activity (Go SEA)

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