UCSF

ZINC02773560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 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) 5.77 6.77 -9.14 2 4 0 65 389.274 2
Hi High (pH 8-9.5) 5.77 7.25 -36.62 1 4 -1 68 388.266 2
Hi High (pH 8-9.5) 5.77 7.55 -36.16 1 4 -1 68 388.266 2

Activity (Go SEA)

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