UCSF

ZINC48868102

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 18 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.02 5.46 -36.17 0 5 -1 67 263.298 3
Mid Mid (pH 6-8) 1.56 6.73 -9.62 1 5 0 64 264.306 3

Activity (Go SEA)

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