UCSF

ZINC20201141

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 21 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) 2.04 6.23 -43.06 2 4 1 37 294.463 3
Lo Low (pH 4.5-6) 2.04 6.43 -43.49 2 4 1 37 294.463 3

Activity (Go SEA)

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