UCSF

ZINC37029198

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 2.65 5.73 -46.36 4 3 1 57 255.341 4
Hi High (pH 8-9.5) 2.65 5.4 -9.49 3 3 0 55 254.333 4

Activity (Go SEA)

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