UCSF

ZINC31904577

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 No

Download: MOL2 SDF SMILES Flexibase

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) 4.39 10.92 -9.81 1 3 0 37 325.462 5
Lo Low (pH 4.5-6) 5.32 11.19 -9.37 1 3 0 41 325.462 4

Activity (Go SEA)

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