UCSF

ZINC54049343

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) -1.22 0.92 -99.91 5 5 2 64 242.367 6
Mid Mid (pH 6-8) -1.22 -1.35 -48.56 4 5 1 63 241.359 6

Activity (Go SEA)

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