UCSF

ZINC42766391

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 0.01 2.83 -32.45 2 5 1 46 258.386 6
Mid Mid (pH 6-8) 0.01 4.52 -96.24 3 5 2 51 259.394 6

Activity (Go SEA)

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