UCSF

ZINC37047795

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) -1.02 -2.13 -56.82 3 8 -1 136 301.3 7
Hi High (pH 8-9.5) -1.02 -2.07 -109.18 2 8 -2 138 300.292 7

Activity (Go SEA)

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