UCSF

ZINC36612892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 23 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) 2.16 2.76 -49.85 5 6 1 98 455.167 10
Hi High (pH 8-9.5) 2.16 1.73 -13.79 4 6 0 94 454.159 10

Activity (Go SEA)

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