UCSF

ZINC25540454

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 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) 2.14 4.25 -12.72 1 3 0 47 218.252 1
Hi High (pH 8-9.5) 2.14 5.2 -49.45 0 3 -1 49 217.244 1

Activity (Go SEA)

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