UCSF

ZINC28182828

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 33 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) 5.77 15.1 -32.1 1 5 0 63 446.591 8
Mid Mid (pH 6-8) 5.77 14.57 -52.32 2 5 1 60 447.599 8

Activity (Go SEA)

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