UCSF

ZINC03646533

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 27 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) -0.34 10.15 -102.05 1 7 0 79 379.363 3
Hi High (pH 8-9.5) -0.34 7.8 -66.76 0 7 -1 78 378.355 3
Mid Mid (pH 6-8) -0.34 8.14 -57.57 2 7 1 76 380.371 3
Lo Low (pH 4.5-6) -3.08 8.28 -79.33 2 7 1 82 380.371 2

Activity (Go SEA)

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