UCSF

ZINC12545543

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 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) 4.15 7.26 -14.75 3 6 0 90 388.518 5
Lo Low (pH 4.5-6) 4.15 7.59 -27.48 4 6 1 91 389.526 5
Lo Low (pH 4.5-6) 4.15 4.66 -33.79 4 6 1 91 389.526 5

Activity (Go SEA)

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