UCSF

ZINC45686024

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 2.72 5.47 -36.24 2 3 1 29 243.415 5
Lo Low (pH 4.5-6) 2.72 6.97 -106.92 3 3 2 30 244.423 5

Activity (Go SEA)

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