UCSF

ZINC21779794

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 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) 3.77 5.95 -15.14 2 4 0 59 287.359 6
Hi High (pH 8-9.5) 3.77 6.97 -61.08 1 4 -1 61 286.351 6

Activity (Go SEA)

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