UCSF

ZINC37084839

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.01 4.52 -10.07 2 5 0 63 302.765 3
Hi High (pH 8-9.5) 3.01 5.28 -38.5 1 5 -1 66 301.757 3

Activity (Go SEA)

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