UCSF

ZINC42413595

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) 2.79 9.42 -15.48 0 2 0 34 204.269 5
Hi High (pH 8-9.5) 3.53 8.32 -52.79 0 2 -1 40 203.261 4

Activity (Go SEA)

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