UCSF

ZINC35017590

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 No

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) -1.05 4.49 -35.59 2 11 0 137 496.499 6
Mid Mid (pH 6-8) -1.05 5.1 -78.01 1 11 -1 140 495.491 6
Lo Low (pH 4.5-6) -1.05 6.19 -70.63 3 11 1 138 497.507 6

Activity (Go SEA)

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