UCSF

ZINC33774354

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 No

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) 2.30 9.81 -49.89 0 9 -1 118 479.538 9
Lo Low (pH 4.5-6) 2.30 8.52 -22.32 1 9 0 115 480.546 9

Activity (Go SEA)

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