UCSF

ZINC35604998

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 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) 0.05 -0.5 -48.79 5 4 1 80 227.259 6
Hi High (pH 8-9.5) 0.05 -1.88 -9.81 4 4 0 75 226.251 6

Activity (Go SEA)

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