UCSF

ZINC67642439

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 26 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) 3.49 6.64 -9.55 0 5 0 58 349.434 4
Lo Low (pH 4.5-6) 3.49 8.89 -35.31 1 5 1 60 350.442 4

Activity (Go SEA)

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