UCSF

ZINC09601996

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 35 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) 3.72 11.33 -12.99 2 9 0 103 468.517 6
Lo Low (pH 4.5-6) 3.72 11.61 -41.72 3 9 1 104 469.525 6

Activity (Go SEA)

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