UCSF

ZINC35433332

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) 2.39 7.88 -58.78 0 5 -1 61 246.29 4
Mid Mid (pH 6-8) 2.39 8.12 -35.18 1 5 0 62 247.298 4
Mid Mid (pH 6-8) 2.39 8.35 -44.49 1 5 0 62 247.298 4

Activity (Go SEA)

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