UCSF

ZINC33838765

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 27 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) 3.52 7.27 -53.21 2 5 -1 98 379.517 12

Activity (Go SEA)

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