UCSF

ZINC43971041

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 0.83 1.72 -35.44 2 5 1 48 275.413 10
Hi High (pH 8-9.5) 0.83 0.5 -3.93 1 5 0 43 274.405 10
Mid Mid (pH 6-8) 0.83 1.99 -32.26 2 5 1 44 275.413 10

Activity (Go SEA)

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