UCSF

ZINC37004786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 2.78 7.61 -11.13 1 4 0 45 289.766 4
Lo Low (pH 4.5-6) 2.78 7.91 -34.58 2 4 1 46 290.774 4

Activity (Go SEA)

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