UCSF

ZINC36705122

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 35 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) 5.85 13.15 -14.76 0 5 0 46 489.616 8
Lo Low (pH 4.5-6) 5.85 15.43 -53.34 1 5 1 47 490.624 8

Activity (Go SEA)

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