UCSF

ZINC33719631

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 32 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) 3.08 11.52 -46.92 1 6 1 52 469.587 3
Mid Mid (pH 6-8) 3.08 9.16 -9.65 0 6 0 50 468.579 3

Activity (Go SEA)

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