UCSF

ZINC21988818

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 19 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) 2.41 1.04 -19.38 3 5 0 95 256.213 0
Hi High (pH 8-9.5) 2.41 1.98 -51.4 2 5 -1 98 255.205 0
Hi High (pH 8-9.5) 2.41 1.84 -60.75 2 5 -1 98 255.205 0

Activity (Go SEA)

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