UCSF

ZINC50027606

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 17 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) -4.66 -4.95 -86.71 7 8 0 160 247.251 7
Hi High (pH 8-9.5) -4.66 -5.29 -68.62 6 8 -1 159 246.243 7

Activity (Go SEA)

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