UCSF

ZINC36232616

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 0.36 -0.01 -35.27 4 4 1 64 186.279 3
Hi High (pH 8-9.5) -2.55 0.14 -6.06 4 4 0 64 185.271 3
Mid Mid (pH 6-8) 0.36 1.95 -104.98 5 4 2 65 187.287 3

Activity (Go SEA)

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