UCSF

ZINC36881056

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) -1.43 4.92 -49.04 3 4 1 65 247.318 2
Hi High (pH 8-9.5) -1.43 4.6 -11.58 2 4 0 63 246.31 2

Activity (Go SEA)

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