UCSF

ZINC43403299

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) 0.96 2.62 -9.46 3 4 0 58 283.372 3
Mid Mid (pH 6-8) 0.96 3.94 -54.93 4 4 1 63 284.38 3

Activity (Go SEA)

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