UCSF

ZINC36250745

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) 3.34 8.87 -14.57 0 5 0 44 363.546 6
Mid Mid (pH 6-8) 3.34 10.87 -47.01 1 5 1 45 364.554 6

Activity (Go SEA)

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