UCSF

ZINC36879009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 Yes

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) 2.04 4.65 -49.92 3 6 1 75 300.423 7
Hi High (pH 8-9.5) 2.04 3.45 -12.31 2 6 0 71 299.415 7

Activity (Go SEA)

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