UCSF

ZINC42781419

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 Yes

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) 2.58 4.78 -7.67 1 3 0 41 293.672 4
Hi High (pH 8-9.5) 2.58 5.56 -38.05 0 3 -1 43 292.664 4

Activity (Go SEA)

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