UCSF

ZINC42446292

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 1.58 5.08 -106.01 4 2 2 32 186.343 4
Hi High (pH 8-9.5) 1.58 4.69 -29.8 3 2 1 30 185.335 4
Hi High (pH 8-9.5) 1.58 3.21 -40.56 3 2 1 31 185.335 4

Activity (Go SEA)

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