UCSF

ZINC36328390

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 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) 0.91 1.78 -103.72 5 3 2 52 202.342 4
Hi High (pH 8-9.5) 0.91 2.33 -42.75 4 3 1 55 201.334 4
Mid Mid (pH 6-8) 0.91 1.32 -33.6 4 3 1 51 201.334 4

Activity (Go SEA)

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