UCSF

ZINC08681548

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2007 31 No

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) 0.40 -6.92 -17.74 7 10 0 177 436.413 7
Hi High (pH 8-9.5) 0.40 -6.2 -49.74 6 10 -1 180 435.405 7

Activity (Go SEA)

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