UCSF

ZINC43455299

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 3.72 9.13 -111.03 3 2 2 21 230.44 11
Mid Mid (pH 6-8) 3.72 7.16 -35.75 2 2 1 20 229.432 11
Mid Mid (pH 6-8) 3.72 7.78 -31.63 2 2 1 16 229.432 11

Activity (Go SEA)

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