UCSF

ZINC42355679

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 20 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) 1.22 4.79 -10.53 1 6 0 75 275.308 5
Hi High (pH 8-9.5) 1.68 3 -48.65 0 6 -1 78 274.3 5

Activity (Go SEA)

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