UCSF

ZINC44619309

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 0.48 8.86 -42.11 1 5 0 70 251.33 5
Mid Mid (pH 6-8) 0.48 8.28 -44.42 0 5 -1 69 250.322 5

Activity (Go SEA)

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