UCSF

ZINC43700035

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 12 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) -1.96 3.39 -37.23 3 4 0 71 174.244 5
Hi High (pH 8-9.5) -1.96 1.69 -32.17 3 4 0 71 174.244 5
Mid Mid (pH 6-8) -1.96 3.4 -77.16 4 4 1 72 175.252 5

Activity (Go SEA)

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