UCSF

ZINC36141834

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 14 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) 2.33 5.03 -39.87 2 2 1 26 188.25 0
Hi High (pH 8-9.5) 2.33 3.58 -5.34 1 2 0 21 187.242 0

Activity (Go SEA)

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