UCSF

ZINC19863947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) -0.31 -1.54 -45.78 3 4 1 49 189.279 4
Hi High (pH 8-9.5) -0.31 -3.05 -5.22 2 4 0 45 188.271 4
Mid Mid (pH 6-8) -0.31 0.87 -104.26 4 4 2 51 190.287 4

Activity (Go SEA)

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