UCSF

ZINC31995609

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 1.74 3.17 -46.83 5 4 1 72 259.329 4
Hi High (pH 8-9.5) 1.74 2.78 -8.22 4 4 0 71 258.321 4

Activity (Go SEA)

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