UCSF

ZINC41680692

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 3.59 8.45 -36.98 2 4 1 57 282.452 10
Hi High (pH 8-9.5) 3.45 7.63 -31.96 1 4 0 64 281.444 10

Activity (Go SEA)

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