UCSF

ZINC20452307

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 26 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) 2.65 9.1 -85.32 3 5 2 41 366.594 5
Hi High (pH 8-9.5) 2.65 6.74 -39.25 2 5 1 40 365.586 5
Lo Low (pH 4.5-6) 2.65 8.92 -95.01 3 5 2 41 366.594 5

Activity (Go SEA)

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