UCSF

ZINC35159831

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 18 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) 1.40 3.76 -45.42 3 4 1 55 259.276 7
Hi High (pH 8-9.5) 1.40 2.42 -12.04 2 4 0 50 258.268 7

Activity (Go SEA)

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