UCSF

ZINC35720825

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 17 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) -0.70 3.38 -66.71 2 6 -1 104 239.251 4
Lo Low (pH 4.5-6) -0.70 1.35 -19.11 3 6 0 101 240.259 4

Activity (Go SEA)

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