UCSF

ZINC33986129

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 34 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) 6.60 16.1 -51.23 2 6 1 86 460.55 10
Hi High (pH 8-9.5) 6.60 14.89 -17.51 1 6 0 82 459.542 10

Activity (Go SEA)

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