UCSF

ZINC35204870

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 16 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) 1.35 -0.92 -11.51 3 5 0 79 225.244 4
Hi High (pH 8-9.5) 1.35 0.09 -55.7 2 5 -1 82 224.236 4

Activity (Go SEA)

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