UCSF

ZINC42747018

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 0.70 0.88 -38.89 3 4 1 49 233.376 10
Hi High (pH 8-9.5) 0.70 -0.46 -3.62 2 4 0 45 232.368 10
Mid Mid (pH 6-8) 0.70 3.67 -34.5 3 4 1 53 233.376 10

Activity (Go SEA)

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