UCSF

ZINC19912248

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 21 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) 2.86 7.12 -9.32 1 4 0 43 286.375 7
Lo Low (pH 4.5-6) 2.86 7.55 -43.94 2 4 1 45 287.383 7

Activity (Go SEA)

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