UCSF

ZINC43437362

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 12 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) 1.69 3.57 -112.26 5 2 2 44 174.332 5
Mid Mid (pH 6-8) 1.69 3.19 -29.76 4 2 1 43 173.324 5
Mid Mid (pH 6-8) 1.69 3.29 -42.29 4 2 1 40 173.324 5

Activity (Go SEA)

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