UCSF

ZINC36722703

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 16 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) 0.30 6.48 -34.91 2 6 0 103 224.216 5
Mid Mid (pH 6-8) 0.30 5.54 -45.83 1 6 -1 98 223.208 5

Activity (Go SEA)

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