UCSF

ZINC59862370

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 30 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) 2.76 5.43 -49.85 0 8 -1 103 409.418 5
Mid Mid (pH 6-8) 2.30 7.9 -14.3 1 8 0 100 410.426 5

Activity (Go SEA)

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