UCSF

ZINC42734023

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.20 7.12 -49.29 2 6 -1 98 349.382 6
Lo Low (pH 4.5-6) 2.20 5.14 -9.84 3 6 0 95 350.39 6

Activity (Go SEA)

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