UCSF

ZINC33720656

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 27 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) 6.64 12.65 -19.17 1 4 0 51 421.349 6
Hi High (pH 8-9.5) 6.16 11.73 -53.8 0 4 -1 58 420.341 6

Activity (Go SEA)

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