UCSF

ZINC33727855

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 4.98 11.28 -25.25 1 7 0 84 506.55 11
Hi High (pH 8-9.5) 5.17 10.2 -52.08 0 7 -1 91 505.542 11

Activity (Go SEA)

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