UCSF

ZINC42457811

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 3.45 8.24 -51.74 0 4 -1 56 255.725 5
Lo Low (pH 4.5-6) 3.45 8.57 -31.75 1 4 0 58 256.733 5

Activity (Go SEA)

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