UCSF

ZINC39802899

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 20 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) -4.64 -3.55 -79.48 7 9 0 169 288.304 8
Hi High (pH 8-9.5) -4.64 -3.83 -47.53 6 9 -1 167 287.296 8

Activity (Go SEA)

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