UCSF

ZINC42467319

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 No

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) -1.68 0.56 -49.34 4 6 1 86 244.315 6
Hi High (pH 8-9.5) -1.49 1.31 -60.31 3 6 0 93 243.307 6
Hi High (pH 8-9.5) -1.68 0.17 -8.02 3 6 0 85 243.307 6

Activity (Go SEA)

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