UCSF

ZINC33789394

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 31 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) 5.48 10.81 -22.63 1 7 0 84 446.617 13
Hi High (pH 8-9.5) 5.66 9.72 -44.12 0 7 -1 91 445.609 13

Activity (Go SEA)

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