UCSF

ZINC37260025

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 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) 2.94 5.8 -11.6 3 3 0 51 249.383 4
Mid Mid (pH 6-8) 2.94 6.28 -43.73 4 3 1 52 250.391 4

Activity (Go SEA)

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