UCSF

ZINC23116372

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 19 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) 0.65 2.4 -27.38 3 6 0 98 276.321 4
Mid Mid (pH 6-8) 0.72 1.5 -51.21 2 6 -1 104 275.313 4

Activity (Go SEA)

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