UCSF

ZINC43190572

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 24 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) 2.43 0.74 -15.85 4 7 0 111 392.209 5
Hi High (pH 8-9.5) 2.43 1.51 -57.89 3 7 -1 114 391.201 5

Activity (Go SEA)

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