UCSF

ZINC35807783

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 34 Yes

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) 4.29 9.15 -13.64 1 6 0 64 485.625 13
Lo Low (pH 4.5-6) 4.29 11.34 -66.06 2 6 1 65 486.633 13

Activity (Go SEA)

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