UCSF

ZINC36985253

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 2.78 7.79 -126.44 4 2 2 32 317.246 3
Hi High (pH 8-9.5) 2.78 7.72 -32.22 3 2 1 30 316.238 3
Mid Mid (pH 6-8) 2.78 6.43 -42.92 3 2 1 31 316.238 3

Activity (Go SEA)

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