UCSF

ZINC35174258

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 20 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) -0.92 2.68 -27.21 1 8 0 106 279.252 4
Mid Mid (pH 6-8) -0.46 0.55 -62.36 0 8 -1 109 278.244 4

Activity (Go SEA)

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