UCSF

ZINC24864700

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 30 Yes

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) 4.18 7.39 -27.86 2 7 0 101 440.55 7
Mid Mid (pH 6-8) 4.25 6.49 -54.75 1 7 -1 107 439.542 7

Activity (Go SEA)

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