UCSF

ZINC36923383

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) -1.09 1.69 -43.32 2 4 1 46 175.252 6
Hi High (pH 8-9.5) -1.09 0.34 -9.78 1 4 0 42 174.244 6

Activity (Go SEA)

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