UCSF

ZINC19528182

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 20 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) 1.85 5.71 -42.78 2 4 1 37 280.367 5
Hi High (pH 8-9.5) 1.85 3.4 -10.49 1 4 0 36 279.359 5
Mid Mid (pH 6-8) 1.85 5.72 -47.59 2 4 1 37 280.367 5

Activity (Go SEA)

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