UCSF

ZINC28952599

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 37 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) 2.86 7.7 -17.83 2 8 0 108 518.639 8
Hi High (pH 8-9.5) 2.86 7.31 -54.28 1 8 -1 110 517.631 8

Activity (Go SEA)

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