UCSF

ZINC36774798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 26 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) 4.28 11.14 -42.38 2 4 1 43 355.502 9
Hi High (pH 8-9.5) 4.28 8.43 -7.35 1 4 0 42 354.494 9

Activity (Go SEA)

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