UCSF

ZINC49032301

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 33 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) 0.96 0.47 -21.37 4 12 0 153 461.475 9

Activity (Go SEA)

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