UCSF

ZINC42450078

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.62 5.64 -114.36 4 3 2 45 224.348 5
Mid Mid (pH 6-8) 1.62 6.1 -31.82 3 3 1 44 223.34 5
Mid Mid (pH 6-8) 1.62 3.93 -43.32 3 3 1 44 223.34 5

Activity (Go SEA)

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