UCSF

ZINC34667341

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 31 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) 2.47 7.84 -14.81 1 6 0 62 426.557 11
Mid Mid (pH 6-8) 2.47 10.16 -51.57 2 6 1 63 427.565 11

Activity (Go SEA)

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