UCSF

ZINC33428823

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 24 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) 4.38 3.76 -19.34 3 6 0 90 341.392 4
Hi High (pH 8-9.5) 4.38 4.55 -52.01 2 6 -1 93 340.384 4

Activity (Go SEA)

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