UCSF

ZINC40691955

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 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) 1.97 4.58 -44.3 2 4 1 51 287.38 4
Hi High (pH 8-9.5) 1.97 2.36 -7.37 1 4 0 49 286.372 4

Activity (Go SEA)

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