UCSF

ZINC27656291

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 17 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) -0.81 1.21 -40.66 4 6 0 110 240.259 6
Hi High (pH 8-9.5) -0.81 0.88 -47.09 3 6 -1 108 239.251 6

Activity (Go SEA)

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