UCSF

ZINC66068246

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 23 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) 2.93 6.43 -50.76 3 5 1 64 315.393 9
Hi High (pH 8-9.5) 2.93 5.08 -11.97 2 5 0 60 314.385 9

Activity (Go SEA)

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