UCSF

ZINC36829185

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) -0.19 0.28 -16.04 1 7 0 89 290.341 8
Hi High (pH 8-9.5) 0.27 -1.58 -51.56 0 7 -1 92 289.333 8

Activity (Go SEA)

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