UCSF

ZINC23994949

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2009 28 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) 0.87 6.67 -54.18 2 7 1 66 389.52 5
Hi High (pH 8-9.5) 0.87 4.46 -14.28 1 7 0 65 388.512 5
Lo Low (pH 4.5-6) 0.87 6.65 -47.29 2 7 1 66 389.52 5

Activity (Go SEA)

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