UCSF

ZINC44257348

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 10 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) 2.45 4.14 -38.54 2 1 1 17 219.127 1
Hi High (pH 8-9.5) 2.45 2.49 -2.64 1 1 0 12 218.119 1

Activity (Go SEA)

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