UCSF

ZINC08071193

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 23 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) 3.31 6.69 -10.02 2 4 0 58 322.286 4
Hi High (pH 8-9.5) 3.49 5.04 -47.86 1 4 -1 65 321.278 4

Activity (Go SEA)

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