UCSF

ZINC13585054

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 19 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) 1.14 5.86 -17.71 1 6 0 76 273.321 2
Lo Low (pH 4.5-6) 1.14 6.38 -40.11 2 6 1 78 274.329 2

Activity (Go SEA)

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