UCSF

ZINC62979496

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 16 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) 1.14 4.63 -89.46 4 3 2 35 227.396 4
Hi High (pH 8-9.5) 1.14 2.47 -36.23 3 3 1 34 226.388 4

Activity (Go SEA)

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