UCSF

ZINC05260235

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 18 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) 3.41 -3.18 -34.05 2 6 -1 108 303.263 4
Mid Mid (pH 6-8) 3.41 -3.35 -14.13 3 6 0 106 304.271 4

Activity (Go SEA)

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