UCSF

ZINC45666239

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 No

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) 0.77 3.66 -116.02 4 3 2 35 247.452 7
Hi High (pH 8-9.5) 0.77 1.2 -48.54 3 3 1 34 246.444 7

Activity (Go SEA)

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