UCSF

ZINC36873276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) -0.74 -0.53 -42.52 4 4 1 60 186.279 3
Hi High (pH 8-9.5) -0.74 -0.88 -7.43 3 4 0 58 185.271 3
Mid Mid (pH 6-8) -0.74 0.77 -101.67 5 4 2 65 187.287 3

Activity (Go SEA)

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