UCSF

ZINC36986920

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 1.83 4.82 -108.53 5 3 2 56 239.388 4
Mid Mid (pH 6-8) 1.83 3.15 -35.37 4 3 1 55 238.38 4
Mid Mid (pH 6-8) -1.08 5.76 -28.93 5 3 1 56 238.38 4

Activity (Go SEA)

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