UCSF

ZINC40405148

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 21 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) 0.10 -6.41 -16.52 5 8 0 137 300.263 4
Hi High (pH 8-9.5) 0.10 -6.86 -51.57 4 8 -1 140 299.255 4
Hi High (pH 8-9.5) 0.10 -6.87 -54.68 4 8 -1 140 299.255 4

Activity (Go SEA)

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