UCSF

ZINC36226259

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 1.19 3.42 -38.68 4 4 1 55 215.708 4
Hi High (pH 8-9.5) 1.19 0.95 -4.88 3 4 0 54 214.7 4

Activity (Go SEA)

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