UCSF

ZINC35290179

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 26 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) 3.09 8.14 -12.92 0 5 0 55 369.852 6
Lo Low (pH 4.5-6) 3.09 8.61 -51.15 1 5 1 57 370.86 6

Activity (Go SEA)

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