UCSF

ZINC59587834

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 24 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) 3.98 9.72 -37.13 2 3 1 26 345.894 6
Lo Low (pH 4.5-6) 3.98 8.7 -38.38 2 3 1 29 345.894 6

Activity (Go SEA)

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