UCSF

ZINC67846851

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2011 27 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) 2.43 7.79 -32.68 4 5 1 81 366.485 5
Mid Mid (pH 6-8) 2.43 7.32 -10.51 3 5 0 79 365.477 5

Activity (Go SEA)

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