UCSF

ZINC09044178

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 33 No

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) 5.00 11.61 -56.98 0 6 -1 79 515.424 10
Lo Low (pH 4.5-6) 5.00 10.65 -13.78 1 6 0 76 516.432 10

Activity (Go SEA)

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