UCSF

ZINC28466990

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 22 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) -3.56 1.26 -152.26 7 8 0 165 313.354 8
Hi High (pH 8-9.5) -3.56 0.95 -135.1 6 8 -1 163 312.346 8

Activity (Go SEA)

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