UCSF

ZINC09471384

Substance Information

In ZINC since Heavy atoms Benign functionality
August 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) 4.60 12.22 -49.17 2 6 1 71 528.467 9
Mid Mid (pH 6-8) 4.02 12.91 -57.49 1 6 1 68 528.467 9

Activity (Go SEA)

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