UCSF

ZINC43435524

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) 1.12 5.58 -49.75 2 5 0 83 217.265 8
Hi High (pH 8-9.5) 1.12 4.64 -46.1 1 5 -1 78 216.257 8

Activity (Go SEA)

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