UCSF

ZINC33671983

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 33 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) 0.90 11.36 -33.16 4 8 1 110 463.587 8
Mid Mid (pH 6-8) 2.95 11.34 -14.7 3 8 0 109 462.579 8

Activity (Go SEA)

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