UCSF

ZINC28239280

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 30 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) 6.63 14.48 -190.36 4 4 3 29 427.786 14
Hi High (pH 8-9.5) 6.63 12.26 -95.8 3 4 2 28 426.778 14

Activity (Go SEA)

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