UCSF

ZINC65101368

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2011 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) 1.98 10.21 -30.47 2 9 0 109 466.567 6

Activity (Go SEA)

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