UCSF

ZINC59053009

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2011 21 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) -1.14 -1.58 -16.07 1 8 0 90 296.327 3
Mid Mid (pH 6-8) -1.14 0.28 -65.93 2 8 1 91 297.335 3
Mid Mid (pH 6-8) -1.14 0.3 -66.47 2 8 1 91 297.335 3

Activity (Go SEA)

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