UCSF

ZINC31912671

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 17 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) 1.66 6.59 -50.7 3 3 1 45 297.22 3
Hi High (pH 8-9.5) 1.66 6.25 -7.06 2 3 0 43 296.212 3
Mid Mid (pH 6-8) 1.66 7 -103.82 4 3 2 46 298.228 3

Activity (Go SEA)

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