UCSF

ZINC42409326

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 14 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) 1.99 6.88 -96.08 3 2 2 21 200.37 5
Hi High (pH 8-9.5) 1.99 5.53 -28.45 2 2 1 16 199.362 5
Mid Mid (pH 6-8) 1.99 4.78 -36.96 2 2 1 20 199.362 5

Activity (Go SEA)

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