UCSF

ZINC57866623

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 21 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) 0.29 3.08 -40.71 3 6 1 72 300.423 8
Mid Mid (pH 6-8) 0.29 0.93 -11.08 2 6 0 71 299.415 8

Activity (Go SEA)

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