UCSF

ZINC09273777

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 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) 4.44 1.53 -16.21 0 10 0 137 463.475 6
Lo Low (pH 4.5-6) 4.44 1.64 -55.39 1 10 1 138 464.483 6

Activity (Go SEA)

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