UCSF

ZINC68877224

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 30 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) 3.85 7.62 -52.69 0 8 -1 111 421.506 5
Lo Low (pH 4.5-6) 3.40 9.01 -21.63 1 8 0 108 422.514 5

Activity (Go SEA)

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