UCSF

ZINC21262230

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 24 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) 2.45 10.51 -39.1 1 5 1 37 344.508 3
Mid Mid (pH 6-8) 2.45 8.15 -7.34 0 5 0 35 343.5 3

Activity (Go SEA)

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