UCSF

ZINC37824015

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.26 4.51 -83.94 3 5 2 45 302.488 5
Mid Mid (pH 6-8) 0.26 3.4 -43.34 2 5 1 40 301.48 5
Lo Low (pH 4.5-6) 0.26 6.8 -168.73 4 5 3 46 303.496 5
Lo Low (pH 4.5-6) 0.26 4.41 -93.98 3 5 2 45 302.488 5

Activity (Go SEA)

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