UCSF

ZINC41719576

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 2.67 8.42 -58.29 3 5 1 71 286.355 3
Hi High (pH 8-9.5) 2.67 8.01 -52.22 2 5 0 69 285.347 3

Activity (Go SEA)

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