UCSF

ZINC40541939

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 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) 3.70 5.43 -41.61 0 5 -1 69 278.376 9
Lo Low (pH 4.5-6) 3.25 7.26 -7.91 1 5 0 66 279.384 9

Activity (Go SEA)

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