UCSF

ZINC59743687

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 21 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) 4.26 6.76 -7.18 1 4 0 56 290.359 2
Hi High (pH 8-9.5) 4.26 7.75 -55.46 0 4 -1 59 289.351 2

Activity (Go SEA)

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