UCSF

ZINC43700080

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) -1.26 3.71 -43.9 3 4 0 71 188.271 6
Mid Mid (pH 6-8) -1.26 2.64 -32.36 3 4 0 71 188.271 6
Mid Mid (pH 6-8) -1.26 4.04 -78.62 4 4 1 72 189.279 6

Activity (Go SEA)

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