UCSF

ZINC09452741

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 38 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) 3.38 10.87 -58.97 2 9 1 99 525.622 12
Mid Mid (pH 6-8) 2.79 11.56 -67.93 1 9 1 96 525.622 12

Activity (Go SEA)

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