UCSF

ZINC02765414

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 34 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) 4.77 8.32 -23.19 2 8 0 112 476.558 7
Hi High (pH 8-9.5) 5.23 6.57 -56.23 1 8 -1 115 475.55 7
Hi High (pH 8-9.5) 5.23 6.3 -73.74 1 8 -1 115 475.55 7

Activity (Go SEA)

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