UCSF

ZINC28640462

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 31 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) 2.32 8.05 -58.09 3 8 1 98 423.493 6
Hi High (pH 8-9.5) 2.78 4.67 -53.92 1 8 -1 100 421.477 6
Mid Mid (pH 6-8) 2.78 6.95 -79.15 2 8 0 101 422.485 6

Activity (Go SEA)

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