UCSF

ZINC45115181

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 14 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) 1.37 2.87 -7.24 3 3 0 55 210.302 2
Lo Low (pH 4.5-6) 1.37 2.73 -34.33 4 3 1 57 211.31 2

Activity (Go SEA)

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