UCSF

ZINC37039109

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.07 0.7 -51.4 3 6 1 71 305.468 4
Lo Low (pH 4.5-6) -0.07 2.72 -126.95 4 6 2 73 306.476 4

Activity (Go SEA)

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