UCSF

ZINC04266909

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 20 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) 3.00 8.43 -12.91 1 4 0 62 260.3 2
Lo Low (pH 4.5-6) 3.00 8.88 -32.57 2 4 1 63 261.308 2

Activity (Go SEA)

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