UCSF

ZINC37504300

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 19 Yes

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) 1.33 2.62 -46.76 4 5 1 73 304.201 3
Lo Low (pH 4.5-6) 1.33 4.81 -110.9 5 5 2 74 305.209 3

Activity (Go SEA)

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