UCSF

ZINC37116105

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) -0.06 0.91 -44.14 1 8 -1 126 301.3 3
Mid Mid (pH 6-8) -0.06 -0.07 -15.17 2 8 0 124 302.308 3

Activity (Go SEA)

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