UCSF

ZINC42746927

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 13 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) 0.54 0.67 -101.59 5 3 2 52 190.331 5
Hi High (pH 8-9.5) 0.54 1.22 -42.4 4 3 1 55 189.323 5
Mid Mid (pH 6-8) 0.54 0.31 -30.78 4 3 1 51 189.323 5

Activity (Go SEA)

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