UCSF

ZINC12063466

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 29 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) 4.46 7.99 -11.02 2 6 0 78 391.471 6
Hi High (pH 8-9.5) 4.46 8.83 -40.76 1 6 -1 81 390.463 6

Activity (Go SEA)

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