UCSF

ZINC36881033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -1.40 4.87 -50.96 3 4 1 65 247.318 2
Hi High (pH 8-9.5) -1.40 4.53 -12.9 2 4 0 63 246.31 2

Activity (Go SEA)

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