UCSF

ZINC52292524

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 14 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) 1.62 4.38 -11.21 3 3 0 51 207.302 3
Lo Low (pH 4.5-6) 1.62 4.7 -41.32 4 3 1 52 208.31 3

Activity (Go SEA)

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