UCSF

ZINC43336084

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 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) 0.92 5.19 -130.26 4 4 2 69 223.32 5
Mid Mid (pH 6-8) 0.92 4.84 -45.29 3 4 1 67 222.312 5
Mid Mid (pH 6-8) 0.92 3.3 -46.59 3 4 1 68 222.312 5

Activity (Go SEA)

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