UCSF

ZINC49633295

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 16 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) 3.55 9.15 -34.29 1 3 1 31 228.356 7
Mid Mid (pH 6-8) 3.55 6.95 -4.13 0 3 0 30 227.348 7

Activity (Go SEA)

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