UCSF

ZINC32122674

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 2.83 6.8 -33.83 2 3 1 28 277.432 4
Mid Mid (pH 6-8) 2.83 4.48 -4.53 1 3 0 27 276.424 4

Activity (Go SEA)

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