UCSF

ZINC33968173

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 23 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) 3.51 10.56 -49 0 3 -1 57 315.433 1
Lo Low (pH 4.5-6) 3.51 8.64 -9.14 1 3 0 54 316.441 1

Activity (Go SEA)

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