UCSF

ZINC37817955

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 1.17 3.78 -42.44 3 5 1 66 274.41 7
Mid Mid (pH 6-8) 1.17 2.66 -14.14 2 5 0 61 273.402 7

Activity (Go SEA)

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