UCSF

ZINC09373042

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 26 No

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) 3.45 9.12 -39.76 0 5 -1 70 462.263 6
Mid Mid (pH 6-8) 2.86 -1.14 -17.61 0 5 0 63 463.271 6
Mid Mid (pH 6-8) 3.89 7.6 -24.61 1 5 0 67 463.271 5

Activity (Go SEA)

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