UCSF

ZINC51131562

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 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) -1.14 -1.38 -14.82 2 7 0 79 298.387 4
Mid Mid (pH 6-8) -1.14 0.84 -53.53 3 7 1 80 299.395 4

Activity (Go SEA)

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