UCSF

ZINC42162128

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 19 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) 0.63 6.96 -50.62 0 8 -1 107 267.265 4
Lo Low (pH 4.5-6) 0.63 4.99 -13.99 1 8 0 104 268.273 4

Activity (Go SEA)

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