UCSF

ZINC57952861

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 16 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) -1.06 6.92 -71.93 2 5 1 72 222.268 2
Hi High (pH 8-9.5) -1.06 6.49 -49.07 0 5 -1 69 220.252 2
Mid Mid (pH 6-8) -1.06 6.53 -31.79 1 5 0 70 221.26 2

Activity (Go SEA)

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