UCSF

ZINC31934416

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) 1.64 5.97 -45.57 2 5 1 50 308.409 3
Hi High (pH 8-9.5) 1.64 4.55 -10.12 1 5 0 45 307.401 3
Lo Low (pH 4.5-6) 1.64 6.37 -83.56 3 5 2 51 309.417 3

Activity (Go SEA)

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