UCSF

ZINC41681720

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 1.67 4.88 -100.39 4 5 2 67 315.483 9
Hi High (pH 8-9.5) 1.67 3.72 -43.06 3 5 1 63 314.475 9

Activity (Go SEA)

Rings

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