UCSF

ZINC15919270

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 30 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) 2.01 6.14 -15.05 3 8 0 109 431.562 9
Lo Low (pH 4.5-6) 2.27 2.42 -38.79 4 8 1 118 432.57 9

Activity (Go SEA)

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