UCSF

ZINC08779136

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 37 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) 3.22 0.33 -54.67 2 9 1 106 509.579 10
Mid Mid (pH 6-8) 2.64 0.19 -64.09 1 9 1 103 509.579 10

Activity (Go SEA)

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