UCSF

ZINC02586161

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.08 0.57 -42.71 4 5 0 97 211.217 4
Hi High (pH 8-9.5) -1.08 1.33 -74.06 3 5 -1 100 210.209 4

Activity (Go SEA)

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