UCSF

ZINC37818286

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -1.91 -1.97 -55.41 5 7 1 106 255.298 3
Hi High (pH 8-9.5) -1.73 -4.63 -77.83 4 7 0 112 254.29 3

Activity (Go SEA)

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