UCSF

ZINC16735223

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 36 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) 4.88 12.35 -13.08 1 6 0 80 479.532 8
Mid Mid (pH 6-8) 4.30 13.05 -18.98 0 6 0 77 479.532 8

Activity (Go SEA)

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