UCSF

ZINC36840103

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) 1.82 8.37 -36.67 2 4 0 66 265.353 8
Hi High (pH 8-9.5) 1.82 7.31 -54.34 1 4 -1 61 264.345 8

Activity (Go SEA)

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