UCSF

ZINC44680661

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 0.69 2.69 -100.49 5 5 2 78 317.48 6
Hi High (pH 8-9.5) 0.69 2.43 -80.42 4 5 1 80 316.472 6

Activity (Go SEA)

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