UCSF

ZINC06141911

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 26 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) 4.06 7.64 -14.58 2 6 0 80 392.843 6
Hi High (pH 8-9.5) 4.06 7.44 -46.98 1 6 -1 78 391.835 6

Activity (Go SEA)

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