UCSF

ZINC45685516

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 3.92 7.23 -36.29 2 3 1 29 283.48 4
Mid Mid (pH 6-8) 3.92 8.87 -115.33 3 3 2 30 284.488 4

Activity (Go SEA)

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