UCSF

ZINC42240460

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 1.83 6.04 -4.9 0 3 0 30 239.34 7
Mid Mid (pH 6-8) 1.83 8.12 -36.46 1 3 1 31 240.348 7

Activity (Go SEA)

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