UCSF

ZINC43446657

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 1.29 4.42 -31.49 3 6 1 73 279.364 5
Hi High (pH 8-9.5) 1.29 3.95 -9.02 2 6 0 72 278.356 5

Activity (Go SEA)

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