UCSF

ZINC43698586

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 17 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) 0.74 2.75 -46.16 3 4 1 54 253.347 4
Mid Mid (pH 6-8) 0.74 0.5 -14.64 2 4 0 53 252.339 4

Activity (Go SEA)

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