UCSF

ZINC43814304

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 20 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) 4.30 10.47 -31.07 2 2 1 16 275.46 7
Mid Mid (pH 6-8) 4.30 9.64 -33.07 2 2 1 20 275.46 7
Mid Mid (pH 6-8) 4.30 11.52 -117.5 3 2 2 21 276.468 7

Activity (Go SEA)

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