UCSF

ZINC33724458

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 29 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) 2.84 6.65 -11.71 2 7 0 125 390.443 5
Lo Low (pH 4.5-6) 2.84 6.46 -54.76 3 7 1 127 391.451 5

Activity (Go SEA)

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