UCSF

ZINC43265233

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 12 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 1.76 -40.43 4 2 1 48 251.169 3
Hi High (pH 8-9.5) 1.70 1.45 -2.32 3 2 0 46 250.161 3

Activity (Go SEA)

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