UCSF

ZINC10272048

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2007 15 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) 2.87 6.47 -5.78 0 1 0 13 211.186 1
Lo Low (pH 4.5-6) 2.87 6.73 -31.96 1 1 1 14 212.194 1

Activity (Go SEA)

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