UCSF

ZINC05681090

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 20 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) 3.62 5.45 -8.18 1 4 0 49 355.257 4
Hi High (pH 8-9.5) 3.62 5.49 -43.7 0 4 -1 51 354.249 4

Activity (Go SEA)

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