UCSF

ZINC34956803

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 2.60 5.98 -7.07 1 4 0 40 309.822 3
Lo Low (pH 4.5-6) 2.60 6.43 -30.98 2 4 1 41 310.83 3

Activity (Go SEA)

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