UCSF

ZINC21787191

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) -1.05 2.34 -54.82 3 6 1 91 287.361 6
Hi High (pH 8-9.5) -1.05 2.05 -10.62 2 6 0 90 286.353 6

Activity (Go SEA)

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