UCSF

ZINC60210684

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 31 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) 2.74 10.08 -16.27 0 7 0 95 438.505 6
Mid Mid (pH 6-8) 2.92 10.11 -11.45 0 7 0 95 438.505 6
Mid Mid (pH 6-8) 2.90 9.68 -9.99 0 7 0 95 438.505 6
Mid Mid (pH 6-8) 3.32 10.37 -62.59 0 7 -1 101 437.497 6
Lo Low (pH 4.5-6) 2.74 9.21 -18.51 0 7 0 95 438.505 6

Activity (Go SEA)

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