UCSF

ZINC38249647

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 29 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) 2.28 6.59 -61.39 0 7 -1 92 396.419 7
Mid Mid (pH 6-8) 2.28 5.84 -16.37 1 7 0 89 397.427 7

Activity (Go SEA)

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