UCSF

ZINC42175204

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 21 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) 3.41 7.2 -6.3 3 4 0 64 283.375 3
Lo Low (pH 4.5-6) 3.41 7.31 -25.68 4 4 1 65 284.383 3

Activity (Go SEA)

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