UCSF

ZINC43416658

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.91 8.64 -45.89 0 6 -1 85 263.321 6
Mid Mid (pH 6-8) 0.91 8.77 -37.01 1 6 0 86 264.329 6

Activity (Go SEA)

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