UCSF

ZINC24215283

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 32 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) 2.48 -5.32 -19.08 7 10 0 177 442.376 4
Hi High (pH 8-9.5) 2.48 -4.29 -53.92 6 10 -1 180 441.368 4
Hi High (pH 8-9.5) 2.48 -4.41 -58.26 6 10 -1 180 441.368 4

Activity (Go SEA)

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