UCSF

ZINC40068456

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.08 7.88 -62.02 0 6 -1 83 354.382 7
Mid Mid (pH 6-8) 3.08 6.98 -12.09 1 6 0 80 355.39 7

Activity (Go SEA)

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