UCSF

ZINC09019737

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 30 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) 4.57 12.46 -50.78 0 4 -1 60 420.847 5
Mid Mid (pH 6-8) 5.02 10.59 -31.52 1 4 0 58 421.855 4

Activity (Go SEA)

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