UCSF

ZINC01832616

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 28 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) 3.53 9.81 -48.57 2 5 1 62 399.898 6
Mid Mid (pH 6-8) 2.95 10.5 -57.84 1 5 1 59 399.898 6

Activity (Go SEA)

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