UCSF

ZINC31909341

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 1.91 6.39 -12.54 2 5 0 56 308.385 3
Mid Mid (pH 6-8) 1.91 6.8 -28.67 3 5 1 57 309.393 3
Lo Low (pH 4.5-6) 1.91 8.23 -90.89 4 5 2 58 310.401 3

Activity (Go SEA)

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