UCSF

ZINC42164536

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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 5.79 -69.75 2 5 0 77 242.319 6
Hi High (pH 8-9.5) 0.56 4.6 -54.12 1 5 -1 72 241.311 6

Activity (Go SEA)

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