UCSF

ZINC39854111

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 22 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) 3.60 6.29 -13.97 1 5 0 64 316.744 3
Hi High (pH 8-9.5) 3.60 7.41 -62.74 0 5 -1 67 315.736 3
Hi High (pH 8-9.5) 3.60 6.59 -56.43 0 5 -1 67 315.736 3

Activity (Go SEA)

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