UCSF

ZINC36774469

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 4.75 12.41 -16.51 1 6 0 73 441.969 6
Hi High (pH 8-9.5) 4.94 11.18 -46.89 0 6 -1 79 440.961 6

Activity (Go SEA)

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