UCSF

ZINC33813716

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 37 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) 3.79 10.48 -62.7 0 8 -1 105 495.511 9
Lo Low (pH 4.5-6) 3.79 8.87 -16.86 1 8 0 102 496.519 9

Activity (Go SEA)

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