UCSF

ZINC42866464

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 16 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) 1.03 2.88 -5.43 1 5 0 72 224.26 2
Hi High (pH 8-9.5) 1.49 0.23 -35.94 0 5 -1 75 223.252 2

Activity (Go SEA)

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