UCSF

ZINC43411873

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 1.32 6.23 -41.93 2 7 1 80 256.33 5
Hi High (pH 8-9.5) 1.32 3.81 -7.67 1 7 0 79 255.322 5

Activity (Go SEA)

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