UCSF

ZINC59298414

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2011 37 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) 5.25 13.11 -43.25 2 5 1 54 503.707 7
Mid Mid (pH 6-8) 5.25 15.25 -96.86 3 5 2 55 504.715 7

Activity (Go SEA)

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