UCSF

ZINC36777259

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.46 5.62 -113.61 4 3 2 45 237.391 6
Hi High (pH 8-9.5) 1.46 5.52 -46.2 3 3 1 44 236.383 6
Hi High (pH 8-9.5) 1.46 5.32 -28.88 3 3 1 43 236.383 6
Mid Mid (pH 6-8) 1.46 5.56 -92.69 4 3 2 45 237.391 6

Activity (Go SEA)

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