UCSF

ZINC38156694

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 38 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) 8.35 15.97 -146.95 7 4 3 70 517.826 10
Hi High (pH 8-9.5) 8.35 16.11 -72.16 6 4 2 66 516.818 10

Activity (Go SEA)

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