UCSF

ZINC36745419

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) -0.07 1.44 -62.05 4 6 1 95 281.361 6
Hi High (pH 8-9.5) -0.07 0.08 -17.02 3 6 0 90 280.353 6

Activity (Go SEA)

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