UCSF

ZINC37828132

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.00 4.52 -47.01 0 6 -1 77 265.289 5
Mid Mid (pH 6-8) 0.00 6.73 -68.41 1 6 0 78 266.297 5
Lo Low (pH 4.5-6) 0.00 4.76 -46.07 2 6 1 75 267.305 5

Activity (Go SEA)

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