UCSF

ZINC32117210

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 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) -0.66 -1.16 -59.11 4 6 1 97 270.334 3
Mid Mid (pH 6-8) -0.66 -2.55 -18.74 3 6 0 93 269.326 3

Activity (Go SEA)

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