UCSF

ZINC22568552

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 26 Yes

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) 1.74 7.43 -28.26 1 6 0 75 380.42 4
Hi High (pH 8-9.5) 1.93 6.36 -51.48 0 6 -1 82 379.412 4

Activity (Go SEA)

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