UCSF

ZINC33772631

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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 13.81 -69.59 1 7 0 87 499.611 12
Lo Low (pH 4.5-6) 3.79 12.51 -55.63 2 7 1 84 500.619 12

Activity (Go SEA)

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