UCSF

ZINC25407145

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 33 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) 2.54 3.89 -23.35 3 8 0 121 491.566 9
Mid Mid (pH 6-8) 2.54 3.91 -59.37 2 8 -1 124 490.558 9

Activity (Go SEA)

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