UCSF

ZINC36389765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2009 26 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) 3.02 7.47 -36.65 4 5 1 77 352.458 7
Hi High (pH 8-9.5) 2.77 6.09 -25.32 3 5 0 80 351.45 7

Activity (Go SEA)

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