UCSF

ZINC11990966

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 23 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) 5.07 7.13 -44.75 0 4 -1 62 363.249 4
Lo Low (pH 4.5-6) 4.61 7.27 -22.88 1 4 0 59 364.257 4

Activity (Go SEA)

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