UCSF

ZINC33935432

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 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) 3.16 8.14 -24.74 3 4 0 52 314.453 6
Mid Mid (pH 6-8) 3.16 8 -9.18 2 4 0 51 313.445 6

Activity (Go SEA)

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