UCSF

ZINC15675700

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2008 33 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) 3.72 9.63 -14.32 1 7 0 80 448.567 4
Lo Low (pH 4.5-6) 3.72 9.91 -41.17 2 7 1 82 449.575 4

Activity (Go SEA)

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