UCSF

ZINC36983832

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) -0.51 -2.32 -58.44 4 7 1 114 320.416 3
Hi High (pH 8-9.5) -0.51 -3.49 -16.83 3 7 0 110 319.408 3

Activity (Go SEA)

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