UCSF

ZINC42747010

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 0.85 0.68 -36.74 3 4 1 49 233.376 9
Mid Mid (pH 6-8) 0.85 3.45 -33.47 3 4 1 53 233.376 9

Activity (Go SEA)

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