UCSF

ZINC35814992

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 23 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) 1.75 6.09 -47.52 3 5 1 62 319.335 3
Hi High (pH 8-9.5) 1.75 4.8 -8.98 2 5 0 57 318.327 3

Activity (Go SEA)

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