UCSF

ZINC42463100

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.92 7.97 -37.64 1 4 1 44 245.35 2
Hi High (pH 8-9.5) 1.92 5.89 -5.11 0 4 0 43 244.342 2

Activity (Go SEA)

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