UCSF

ZINC09246647

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 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) 5.02 -1.02 -15.1 1 7 0 85 482.565 5
Lo Low (pH 4.5-6) 5.02 -0.92 -55.61 2 7 1 86 483.573 5

Activity (Go SEA)

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