UCSF

ZINC33718998

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 32 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) 4.15 11.2 -54.49 3 6 1 66 437.608 10
Hi High (pH 8-9.5) 4.15 8.88 -18.02 2 6 0 65 436.6 10

Activity (Go SEA)

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