UCSF

ZINC04660815

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2005 12 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) 2.33 0.1 -32.24 1 1 1 4 186.344 1
Hi High (pH 8-9.5) 2.33 -0.86 -52.73 1 1 0 4 185.336 1

Activity (Go SEA)

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