UCSF

ZINC57900344

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 26 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) 3.55 6.65 -32.24 4 6 0 75 361.51 7
Mid Mid (pH 6-8) 3.55 6.22 -17.71 3 6 0 73 360.502 7

Activity (Go SEA)

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