UCSF

ZINC37814192

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -0.37 2.17 -53.7 4 6 1 86 286.396 6
Hi High (pH 8-9.5) -0.37 1.84 -16.58 3 6 0 85 285.388 6

Activity (Go SEA)

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