UCSF

ZINC42580718

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 2.61 5.83 -31.51 2 2 1 16 211.373 3
Lo Low (pH 4.5-6) 2.61 7.13 -108.64 3 2 2 21 212.381 3
Lo Low (pH 4.5-6) 2.61 4.7 -36.07 2 2 1 20 211.373 3

Activity (Go SEA)

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