UCSF

ZINC12630772

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 25 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) 2.69 6.99 -17.4 1 7 0 86 376.463 6
Hi High (pH 8-9.5) 2.69 7.15 -52.29 0 7 -1 88 375.455 6

Activity (Go SEA)

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