UCSF

ZINC41664135

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 2.22 8.77 -32.97 1 5 0 62 245.282 2
Mid Mid (pH 6-8) 2.22 7.72 -63.08 0 5 -1 61 244.274 2

Activity (Go SEA)

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