UCSF

ZINC34667488

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 36 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) 4.90 12.54 -15.18 1 5 0 51 488.603 8
Mid Mid (pH 6-8) 4.90 14.42 -42.73 2 5 1 52 489.611 8

Activity (Go SEA)

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