UCSF

ZINC25723060

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 32 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) -1.30 1.33 -51.98 4 11 1 131 469.596 25
Hi High (pH 8-9.5) -1.30 0.88 -16.77 3 11 0 129 468.588 25

Activity (Go SEA)

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