UCSF

ZINC28296850

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 27 No

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) 5.10 9.94 -18.46 1 5 0 60 382.485 7
Mid Mid (pH 6-8) 5.10 9.51 -42.87 0 5 -1 63 381.477 7

Activity (Go SEA)

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