UCSF

ZINC42945250

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 19 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) 2.10 5.04 -122.62 5 3 2 52 284.831 4
Hi High (pH 8-9.5) 2.10 4.77 -36.51 4 3 1 51 283.823 4
Hi High (pH 8-9.5) 2.10 2.59 -45.13 4 3 1 51 283.823 4

Activity (Go SEA)

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