UCSF

ZINC19677889

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 19 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) -0.25 3 -54.82 2 5 1 49 268.381 2
Mid Mid (pH 6-8) -0.25 1.58 -11.53 1 5 0 45 267.373 2
Mid Mid (pH 6-8) -0.25 3.8 -51.14 2 5 1 46 268.381 2
Lo Low (pH 4.5-6) -0.25 5.22 -124.56 3 5 2 51 269.389 2

Activity (Go SEA)

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