UCSF

ZINC44686062

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 13 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) 1.48 4.44 -37.24 2 2 1 20 181.303 4
Hi High (pH 8-9.5) 1.48 3.26 -1.06 1 2 0 15 180.295 4
Mid Mid (pH 6-8) 1.48 5.6 -29.66 2 2 1 16 181.303 4
Mid Mid (pH 6-8) 1.48 6.78 -105.6 3 2 2 21 182.311 4

Activity (Go SEA)

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