UCSF

ZINC38811251

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 24 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) 3.06 6.52 -43.21 2 5 1 55 331.436 2
Mid Mid (pH 6-8) 3.06 4.54 -8.22 1 5 0 54 330.428 2

Activity (Go SEA)

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