UCSF

ZINC39886208

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 24 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) 2.59 3.08 -13.58 3 6 0 105 359.432 3
Mid Mid (pH 6-8) 3.04 1.53 -45.74 2 6 -1 108 358.424 3

Activity (Go SEA)

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