UCSF

ZINC21800180

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 18 No

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) 2.52 7.19 -9.48 0 3 0 31 263.724 5
Lo Low (pH 4.5-6) 2.52 7.63 -38.08 1 3 1 33 264.732 5

Activity (Go SEA)

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