UCSF

ZINC57579335

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2011 16 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 7.42 -27.83 3 2 1 30 219.352 2
Mid Mid (pH 6-8) 3.55 6.76 -3.04 2 2 0 29 218.344 2

Activity (Go SEA)

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