UCSF

ZINC33830576

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 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) -3.54 -2.56 -364.54 4 18 -4 290 503.15 8
Mid Mid (pH 6-8) -3.54 -3.71 -226.72 5 18 -3 288 504.158 8

Activity (Go SEA)

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