UCSF

ZINC52538456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.01 1.28 -10.58 2 6 0 70 268.361 2
Mid Mid (pH 6-8) 0.01 3.5 -42.71 3 6 1 71 269.369 2

Activity (Go SEA)

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