UCSF

ZINC48867910

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 19 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) 2.52 6.26 -35.87 0 5 -1 67 277.325 4
Mid Mid (pH 6-8) 2.06 7.53 -9.4 1 5 0 64 278.333 4

Activity (Go SEA)

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