UCSF

ZINC43406681

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 2.24 9.59 -8.51 0 4 0 53 278.359 4
Mid Mid (pH 6-8) 2.24 10.04 -35.43 1 4 1 54 279.367 4

Activity (Go SEA)

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