UCSF

ZINC36881010

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -1.98 3.83 -52.26 3 4 1 65 219.264 2
Hi High (pH 8-9.5) -1.98 3.51 -12.53 2 4 0 63 218.256 2

Activity (Go SEA)

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