UCSF

ZINC42433296

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 15 No

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) -1.30 -3.07 -43.52 3 5 1 79 236.313 2
Hi High (pH 8-9.5) -1.30 -5.04 -13.2 2 5 0 78 235.305 2

Activity (Go SEA)

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