UCSF

ZINC51043495

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 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) 0.08 4.53 -79.67 2 5 0 73 207.233 2
Hi High (pH 8-9.5) 0.08 3.22 -54.75 1 5 -1 68 206.225 2
Mid Mid (pH 6-8) 0.08 4.83 -86.01 3 5 1 74 208.241 2

Activity (Go SEA)

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