UCSF

ZINC32128596

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 3.98 11.37 -34.09 2 2 1 16 283.439 6
Mid Mid (pH 6-8) 3.98 7.38 -2.89 1 2 0 15 282.431 6
Mid Mid (pH 6-8) 3.98 9.14 -40.53 2 2 1 20 283.439 6
Lo Low (pH 4.5-6) 3.98 11.86 -124.07 3 2 2 21 284.447 6

Activity (Go SEA)

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