UCSF

ZINC23931886

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2009 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) 1.34 7.62 -58.15 1 6 1 54 411.32 4
Hi High (pH 8-9.5) 1.34 5.31 -15.4 0 6 0 53 410.312 4

Activity (Go SEA)

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