UCSF

ZINC25326718

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 20 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) 0.65 2.02 -63.97 3 6 0 89 275.308 5
Hi High (pH 8-9.5) 0.84 0.7 -103.58 2 6 -1 96 274.3 5
Lo Low (pH 4.5-6) 0.65 1.23 -44.21 4 6 1 87 276.316 5

Activity (Go SEA)

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