UCSF

ZINC33813980

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 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) 2.05 9.28 -59.62 1 10 -1 133 490.521 6
Lo Low (pH 4.5-6) 2.05 7.98 -26.87 2 10 0 130 491.529 6

Activity (Go SEA)

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