UCSF

ZINC57415680

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 34 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) 4.61 10.42 -9.88 2 7 0 80 463.578 9
Lo Low (pH 4.5-6) 4.61 12.78 -45.41 3 7 1 81 464.586 9

Activity (Go SEA)

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