UCSF

ZINC01264646

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 23 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 12.54 -12.51 2 6 0 65 326.429 5
Hi High (pH 8-9.5) 3.00 12.52 -45.02 1 6 -1 66 325.421 4

Activity (Go SEA)

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