UCSF

ZINC13367287

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 28 No

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) 3.63 4.81 -57.48 1 7 -1 105 416.353 8
Hi High (pH 8-9.5) 3.63 4.9 -98.84 0 7 -2 107 415.345 8

Activity (Go SEA)

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