UCSF

ZINC43709004

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 20 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) 1.67 2.54 -54.12 3 6 1 81 334.208 2
Hi High (pH 8-9.5) 1.67 1.19 -11.71 2 6 0 76 333.2 2

Activity (Go SEA)

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