UCSF

ZINC13366970

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 24 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) 1.06 -1.07 -59.93 3 8 -1 146 373.363 5
Hi High (pH 8-9.5) 1.06 -1 -106.47 2 8 -2 149 372.355 5

Activity (Go SEA)

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