UCSF

ZINC40406358

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 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) 5.22 14.16 -89.03 1 5 0 62 359.514 12
Mid Mid (pH 6-8) 5.22 14.49 -108.39 2 5 1 64 360.522 12

Activity (Go SEA)

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