UCSF

ZINC33816375

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 22 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) 4.52 7.04 -12.13 2 5 0 76 319.744 5
Hi High (pH 8-9.5) 4.52 8.05 -49.87 1 5 -1 78 318.736 5

Activity (Go SEA)

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