UCSF

ZINC37023165

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.29 1.88 -48.42 4 4 1 66 223.296 5
Hi High (pH 8-9.5) 0.29 1.48 -9.85 3 4 0 64 222.288 5

Activity (Go SEA)

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