UCSF

ZINC44264449

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 14 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) -2.24 -1.23 -62.65 5 5 1 89 193.23 3
Hi High (pH 8-9.5) -2.24 -1.48 -10.31 4 5 0 88 192.222 3
Hi High (pH 8-9.5) -2.24 -1.89 -42.96 4 5 0 88 192.222 3

Activity (Go SEA)

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