UCSF

ZINC19349193

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 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) 3.85 9.81 -15.04 1 5 0 54 411.502 6
Hi High (pH 8-9.5) 3.92 8.9 -43.56 0 5 -1 61 410.494 6
Lo Low (pH 4.5-6) 3.85 11.65 -34.04 2 5 1 56 412.51 6

Activity (Go SEA)

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