UCSF

ZINC42811054

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) -0.98 -4.62 -18.08 3 8 0 119 315.417 7
Hi High (pH 8-9.5) -0.98 -4.96 -43.07 2 8 -1 121 314.409 7

Activity (Go SEA)

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