UCSF

ZINC30756828

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 33 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) 4.23 5.18 -43.46 2 8 -1 124 507.013 7
Hi High (pH 8-9.5) 4.23 5.24 -84.43 1 8 -2 126 506.005 7
Mid Mid (pH 6-8) 4.23 5.1 -24.46 3 8 0 121 508.021 7

Activity (Go SEA)

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