UCSF

ZINC42186190

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 14 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) 1.33 3.45 -97.3 4 3 2 41 202.342 5
Hi High (pH 8-9.5) 1.33 4.05 -38.29 3 3 1 44 201.334 5
Hi High (pH 8-9.5) 1.33 1.05 -35.05 3 3 1 40 201.334 5

Activity (Go SEA)

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