UCSF

ZINC35868008

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 29 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) 3.30 10.35 -51.16 2 5 1 49 408.595 5
Hi High (pH 8-9.5) 3.30 9.03 -6.39 1 5 0 44 407.587 5

Activity (Go SEA)

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