UCSF

ZINC36204380

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 24 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) 3.17 7.71 -48.81 3 5 1 70 352.524 8
Hi High (pH 8-9.5) 3.62 5.38 -39.85 2 5 0 74 351.516 8
Hi High (pH 8-9.5) 3.17 5.84 -10.44 2 5 0 69 351.516 8

Activity (Go SEA)

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