UCSF

ZINC36698239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 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) 7.25 11.55 -15.02 1 6 0 81 493.654 6
Mid Mid (pH 6-8) 7.25 11.56 -57.75 0 6 -1 83 492.646 6

Activity (Go SEA)

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