UCSF

ZINC28245139

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 22 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) 5.82 7.51 -10.15 2 4 0 62 462.55 2
Hi High (pH 8-9.5) 5.34 7.96 -114.88 0 4 -2 71 460.534 2
Mid Mid (pH 6-8) 5.82 8.51 -42.38 1 4 -1 65 461.542 2

Activity (Go SEA)

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