UCSF

ZINC08775607

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 34 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) 5.05 11.06 -46.02 3 6 1 82 465.614 13
Mid Mid (pH 6-8) 4.47 11.73 -54.99 2 6 1 79 465.614 13

Activity (Go SEA)

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