UCSF

ZINC54134729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 17 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) 1.18 6.7 -93.61 3 5 1 71 238.311 6
Hi High (pH 8-9.5) 1.18 3.72 -46.66 1 5 -1 68 236.295 6
Mid Mid (pH 6-8) 1.18 6.22 -73.2 2 5 0 69 237.303 6

Activity (Go SEA)

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