UCSF

ZINC43412013

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 No

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) 2.30 8.83 -33.47 2 4 1 42 324.495 3
Mid Mid (pH 6-8) 2.75 7.65 -36.76 1 4 0 45 323.487 3

Activity (Go SEA)

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