UCSF

ZINC52304302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) -0.21 5.71 -109.95 4 4 2 50 224.352 6
Mid Mid (pH 6-8) -0.21 6.05 -190.87 5 4 3 51 225.36 6

Activity (Go SEA)

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