UCSF

ZINC20209326

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 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) 1.72 3.67 -56.64 2 5 -1 81 229.3 8
Lo Low (pH 4.5-6) 1.72 2.55 -18.49 3 5 0 78 230.308 8

Activity (Go SEA)

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