UCSF

ZINC35993508

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 34 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) 4.09 10.61 -12.14 1 8 0 82 489.016 7
Lo Low (pH 4.5-6) 4.09 12.26 -53.72 2 8 1 83 490.024 7

Activity (Go SEA)

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