UCSF

ZINC09177995

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 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) 1.65 5.11 -57.83 3 9 1 110 469.514 8
Mid Mid (pH 6-8) 1.07 -2.43 -67 2 9 1 106 469.514 8

Activity (Go SEA)

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