UCSF

ZINC34850884

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 37 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) 6.64 14.35 -55.16 2 6 1 58 507.674 9
Hi High (pH 8-9.5) 6.64 10.78 -21.46 1 6 0 57 506.666 9

Activity (Go SEA)

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