UCSF

ZINC42945706

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 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) 4.02 8.3 -48.67 3 2 1 31 368.726 5
Lo Low (pH 4.5-6) 4.02 9.99 -139.51 4 2 2 32 369.734 5

Activity (Go SEA)

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