UCSF

ZINC39296227

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 3.06 5.35 -9.58 1 3 0 41 311.193 1
Mid Mid (pH 6-8) 3.06 5.53 -32.43 2 3 1 43 312.201 1

Activity (Go SEA)

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