UCSF

ZINC33757262

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 35 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) 3.56 10.29 -53.06 0 8 -1 105 504.931 4
Lo Low (pH 4.5-6) 3.56 9 -21.88 1 8 0 102 505.939 4

Activity (Go SEA)

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