UCSF

ZINC37024439

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 3.27 4.16 -7.32 1 4 0 47 280.755 4
Lo Low (pH 4.5-6) 3.27 4.29 -30.62 2 4 1 49 281.763 4

Activity (Go SEA)

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