UCSF

ZINC37270947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 14 No

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) -1.09 3.48 -42.1 3 4 1 51 218.346 5
Hi High (pH 8-9.5) -1.09 1.52 -12.87 2 4 0 50 217.338 5

Activity (Go SEA)

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