UCSF

ZINC42360148

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) -0.56 5.53 -63.34 2 6 0 77 243.307 4
Mid Mid (pH 6-8) -0.56 3.31 -42.8 1 6 -1 76 242.299 4

Activity (Go SEA)

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