UCSF

ZINC06535045

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 20 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) 3.91 6.16 -9.69 2 6 0 95 292.678 3
Hi High (pH 8-9.5) 3.91 7.17 -43.41 1 6 -1 98 291.67 3

Activity (Go SEA)

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