UCSF

ZINC42460789

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) 0.86 4.12 -12.79 1 5 0 77 219.244 3
Hi High (pH 8-9.5) 0.86 3.03 -33.19 1 5 0 81 219.244 3
Mid Mid (pH 6-8) 0.86 5.12 -51.15 0 5 -1 80 218.236 3

Activity (Go SEA)

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