UCSF

ZINC36719847

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 18 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) 0.74 1.8 -12.59 3 6 0 95 310.107 2
Hi High (pH 8-9.5) 1.19 -0.76 -43.71 2 6 -1 98 309.099 2

Activity (Go SEA)

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