UCSF

ZINC25064578

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 35 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) 3.36 6.39 -19.34 2 9 0 110 494.573 6
Hi High (pH 8-9.5) 3.36 6.46 -51.43 1 9 -1 112 493.565 6

Activity (Go SEA)

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