UCSF

ZINC41844528

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 27 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) 3.37 8.97 -43.52 1 5 -1 70 378.477 4
Mid Mid (pH 6-8) 2.91 10.25 -13.7 2 5 0 67 379.485 4

Activity (Go SEA)

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