UCSF

ZINC34666240

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 5.32 9.26 -40.14 2 2 1 26 359.646 4
Hi High (pH 8-9.5) 5.32 8.18 -3.22 1 2 0 21 358.638 4

Activity (Go SEA)

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