UCSF

ZINC43624880

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 16 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) 1.70 6.47 -72.6 2 4 0 66 223.272 5
Hi High (pH 8-9.5) 1.70 5.29 -47.56 1 4 -1 61 222.264 5

Activity (Go SEA)

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