UCSF

ZINC43208661

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 36 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) 4.54 9.06 -82.15 4 6 0 102 488.628 9
Hi High (pH 8-9.5) 4.55 7.7 -46.24 3 6 -1 97 487.62 9

Activity (Go SEA)

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