UCSF

ZINC36744806

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) 0.17 -1.11 -63.66 4 6 1 95 259.307 5
Hi High (pH 8-9.5) 0.17 -2.47 -15.99 3 6 0 91 258.299 5

Activity (Go SEA)

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