UCSF

ZINC35166885

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) 5.13 12.85 -22.1 1 6 0 75 436.581 11
Hi High (pH 8-9.5) 5.32 11.6 -55.08 0 6 -1 82 435.573 11

Activity (Go SEA)

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