UCSF

ZINC36682269

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 23 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) 4.05 5.48 -13.77 1 5 0 68 307.353 3
Hi High (pH 8-9.5) 4.12 4.61 -55.34 0 5 -1 74 306.345 3

Activity (Go SEA)

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