UCSF

ZINC35720800

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 20 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) -0.19 6.72 -52.36 0 6 -1 81 279.316 4
Lo Low (pH 4.5-6) -0.19 4.87 -19.07 1 6 0 78 280.324 4

Activity (Go SEA)

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