UCSF

ZINC17195350

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 29 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) 4.12 5.08 -13.79 1 7 0 90 424.507 7
Hi High (pH 8-9.5) 4.30 4.05 -42.34 0 7 -1 96 423.499 7

Activity (Go SEA)

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