UCSF

ZINC31920883

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 13 No

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) 2.97 7.23 -6.82 0 2 0 17 215.083 1
Lo Low (pH 4.5-6) 2.97 7.64 -29.65 1 2 1 19 216.091 1

Activity (Go SEA)

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