UCSF

ZINC01543153

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 28 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) 3.93 13.56 -16.25 0 8 0 88 457.369 12
Mid Mid (pH 6-8) 3.93 14.04 -52.19 1 8 1 89 458.377 12

Activity (Go SEA)

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