UCSF

ZINC31965914

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 2.54 7.09 -51.44 1 6 -1 91 333.389 8
Lo Low (pH 4.5-6) 2.54 5.97 -15.78 2 6 0 89 334.397 8

Activity (Go SEA)

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