UCSF

ZINC06732894

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 22 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) 2.77 -4.98 -11.7 2 5 0 75 316.382 4
Hi High (pH 8-9.5) 2.77 -4.41 -42.09 1 5 -1 77 315.374 4

Activity (Go SEA)

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