UCSF

ZINC72092480

Substance Information

In ZINC since Heavy atoms Benign functionality
February 29th, 2012 33 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) 3.86 12.61 -50.92 1 6 1 64 443.571 7
Hi High (pH 8-9.5) 3.86 10.14 -12.49 0 6 0 62 442.563 7

Activity (Go SEA)

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