UCSF

ZINC32666105

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 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) 2.98 6.28 -6.24 2 3 0 41 263.344 1
Lo Low (pH 4.5-6) 2.98 7.54 -46.07 3 3 1 45 264.352 1
Lo Low (pH 4.5-6) 2.98 6.7 -31.71 3 3 1 42 264.352 1

Activity (Go SEA)

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