UCSF

ZINC20140456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 21 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) 1.99 5.97 -8.86 1 4 0 43 286.375 7
Lo Low (pH 4.5-6) 1.99 7.13 -48.99 2 4 1 48 287.383 7
Lo Low (pH 4.5-6) 1.99 6.41 -39.42 2 4 1 45 287.383 7

Activity (Go SEA)

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