UCSF

ZINC35055664

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 21 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) 1.70 6.82 -51.87 1 5 -1 81 296.387 5
Lo Low (pH 4.5-6) 1.70 4.84 -5.43 2 5 0 78 297.395 5

Activity (Go SEA)

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