UCSF

ZINC58281721

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 24 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) 1.21 9.74 -49.58 1 5 1 45 332.468 7
Hi High (pH 8-9.5) 1.21 7.58 -15.58 0 5 0 44 331.46 7

Activity (Go SEA)

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