UCSF

ZINC12081231

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.21 9.28 -10.54 1 5 0 65 388.272 6
Hi High (pH 8-9.5) 4.40 7.6 -42.62 0 5 -1 71 387.264 6

Activity (Go SEA)

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