UCSF

ZINC41863687

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 25 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) 3.17 8.3 -15.48 1 5 0 54 331.375 3
Lo Low (pH 4.5-6) 3.17 8.41 -40.38 2 5 1 56 332.383 3

Activity (Go SEA)

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