UCSF

ZINC06803666

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 30 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) 4.55 13.19 -42.81 2 5 0 71 400.478 8
Hi High (pH 8-9.5) 4.55 11.83 -57.46 1 5 -1 66 399.47 8

Activity (Go SEA)

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