UCSF

ZINC35775225

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 13 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) -0.34 -1.56 -40.52 3 4 1 49 189.279 4
Mid Mid (pH 6-8) -0.34 0.64 -99.94 4 4 2 51 190.287 4

Activity (Go SEA)

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