UCSF

ZINC11204610

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2007 34 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) 4.25 11.47 -14.72 1 8 0 103 471.542 6
Hi High (pH 8-9.5) 4.32 10.52 -42.54 0 8 -1 109 470.534 6

Activity (Go SEA)

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