UCSF

ZINC37982690

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 16 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) 0.28 1.7 -60.6 2 4 1 64 261.392 4
Hi High (pH 8-9.5) 0.28 0.33 -15.37 1 4 0 59 260.384 4

Activity (Go SEA)

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