UCSF

ZINC44651540

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 15 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) 1.36 4.01 -45.97 3 4 1 59 228.341 5
Hi High (pH 8-9.5) 1.92 1.93 -8.83 2 4 0 57 227.333 4
Mid Mid (pH 6-8) 1.18 2.75 -37.98 2 4 0 65 227.333 5

Activity (Go SEA)

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