UCSF

ZINC38259619

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 23 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) 2.93 5.57 -43.59 3 4 1 54 314.405 4
Mid Mid (pH 6-8) 2.93 3.95 -7.94 2 4 0 53 313.397 4

Activity (Go SEA)

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