UCSF

ZINC28243347

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 40 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) 9.50 18.16 -207.05 6 4 3 53 564.024 12
Hi High (pH 8-9.5) 9.50 17.06 -107.53 5 4 2 48 563.016 12

Activity (Go SEA)

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