UCSF

ZINC36269100

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 19 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) 0.10 1.92 -55.11 5 5 1 87 261.349 2
Lo Low (pH 4.5-6) 0.10 2.28 -101.33 6 5 2 88 262.357 2

Activity (Go SEA)

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