UCSF

ZINC36765165

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 2.44 4.9 -53.15 3 3 1 46 242.726 5
Hi High (pH 8-9.5) 2.44 4.5 -5.89 2 3 0 44 241.718 5

Activity (Go SEA)

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