UCSF

ZINC39854069

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 21 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) 4.12 7.78 -11.84 1 4 0 55 345.196 2
Hi High (pH 8-9.5) 4.12 8.9 -60.91 0 4 -1 57 344.188 2
Hi High (pH 8-9.5) 4.12 8.08 -54.37 0 4 -1 57 344.188 2

Activity (Go SEA)

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