UCSF

ZINC37099266

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 24 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) 1.74 3.42 -16.49 2 6 0 88 347.44 5
Lo Low (pH 4.5-6) 1.74 3.59 -49.03 3 6 1 89 348.448 5

Activity (Go SEA)

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