UCSF

ZINC33727463

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 25 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) 5.61 9.94 -18.84 1 4 0 53 332.451 6
Lo Low (pH 4.5-6) 5.61 10.35 -27.43 2 4 1 54 333.459 6

Activity (Go SEA)

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