UCSF

ZINC41680144

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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) 1.05 4.55 -98.8 5 4 2 61 245.411 8
Hi High (pH 8-9.5) 1.23 2.25 -50.73 4 4 1 67 244.403 8
Mid Mid (pH 6-8) 1.05 4.23 -38.33 4 4 1 60 244.403 8

Activity (Go SEA)

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