UCSF

ZINC33861879

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 35 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) 4.60 12.2 -22.32 1 7 0 84 486.597 9
Hi High (pH 8-9.5) 4.79 11 -61.86 0 7 -1 91 485.589 9

Activity (Go SEA)

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