UCSF

ZINC60219382

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 23 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) 2.57 8.09 -34.13 2 3 1 38 305.401 1
Mid Mid (pH 6-8) 2.57 5.68 -7.58 1 3 0 36 304.393 1
Lo Low (pH 4.5-6) 2.57 8.56 -88.67 3 3 2 39 306.409 1

Activity (Go SEA)

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