UCSF

ZINC35025504

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 38 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) 3.71 12.22 -75.61 1 8 0 93 516.594 11
Lo Low (pH 4.5-6) 3.71 11.45 -56.78 2 8 1 90 517.602 11

Activity (Go SEA)

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