UCSF

ZINC60322558

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.17 15.02 -51.02 2 6 0 68 455.582 7
Mid Mid (pH 6-8) 5.17 14.97 -13.59 1 6 0 67 454.574 7

Activity (Go SEA)

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