UCSF

ZINC37020570

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) 1.32 4.61 -96.4 0 6 -2 112 300.723 6
Lo Low (pH 4.5-6) 1.32 4.52 -51.96 1 6 -1 110 301.731 6

Activity (Go SEA)

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