UCSF

ZINC59539361

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 18 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) 3.16 5.1 -6.65 3 3 0 51 235.29 2
Lo Low (pH 4.5-6) 3.16 5.53 -29.8 4 3 1 52 236.298 2

Activity (Go SEA)

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