UCSF

ZINC60210735

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 35 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) 3.95 10.56 -16.97 0 8 0 101 497.569 8
Mid Mid (pH 6-8) 4.13 9.59 -18.59 0 8 0 101 497.569 8
Mid Mid (pH 6-8) 4.53 10.43 -50.74 0 8 -1 106 496.561 8

Activity (Go SEA)

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