UCSF

ZINC36585682

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 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) 2.35 6.38 -32.89 1 7 0 95 430.507 6
Hi High (pH 8-9.5) 2.53 5.01 -62.35 0 7 -1 101 429.499 6

Activity (Go SEA)

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