UCSF

ZINC37042771

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) 4.79 11.3 -31.09 2 1 1 17 288.48 7
Hi High (pH 8-9.5) 4.79 10.65 -1.54 1 1 0 12 287.472 7

Activity (Go SEA)

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