UCSF

ZINC28293811

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 18 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) 2.58 4.86 -36.1 1 5 -1 68 264.33 5
Lo Low (pH 4.5-6) 2.58 4.81 -12.4 2 5 0 70 265.338 5

Activity (Go SEA)

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