UCSF

ZINC33744313

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 31 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 12.1 -47.43 2 5 1 50 518.526 7
Mid Mid (pH 6-8) 5.25 9.86 -14.06 1 5 0 48 517.518 7

Activity (Go SEA)

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