UCSF

ZINC33878451

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 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) 1.55 5.57 -38.83 1 3 1 25 239.364 4
Mid Mid (pH 6-8) 1.55 5.45 -39.09 1 3 1 25 239.364 4
Mid Mid (pH 6-8) 1.55 3.2 -6.52 0 3 0 24 238.356 4

Activity (Go SEA)

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