UCSF

ZINC09436633

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 31 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) 1.09 2.78 -72.51 2 10 -1 156 427.389 9
Mid Mid (pH 6-8) 1.54 3.61 -19.59 3 10 0 153 428.397 8

Activity (Go SEA)

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