UCSF

ZINC43455011

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 4.79 9.23 -36.91 2 3 1 43 258.426 11
Mid Mid (pH 6-8) 4.79 8.29 -2.9 1 3 0 38 257.418 11

Activity (Go SEA)

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