UCSF

ZINC28296975

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 22 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) 3.94 6.77 -120.15 0 5 -2 84 328.374 4
Mid Mid (pH 6-8) 3.94 7.18 -78.52 1 5 -1 82 329.382 4

Activity (Go SEA)

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