UCSF

ZINC33709437

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 36 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) 4.46 10.89 -27.81 1 8 0 94 500.58 8
Hi High (pH 8-9.5) 4.65 9.82 -59.25 0 8 -1 100 499.572 8

Activity (Go SEA)

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