UCSF

ZINC36162852

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 No

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) 0.26 3.47 -49.99 2 6 1 72 301.436 4
Hi High (pH 8-9.5) 0.26 2.27 -12.26 1 6 0 67 300.428 4

Activity (Go SEA)

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