UCSF

ZINC08182183

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2006 24 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) 3.24 4.11 -19.98 3 6 0 91 328.368 5
Hi High (pH 8-9.5) 3.24 4.88 -67.37 2 6 -1 94 327.36 5

Activity (Go SEA)

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