UCSF

ZINC49475174

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 13 No

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) 0.58 6.98 -52.94 2 3 1 34 202.709 7
Mid Mid (pH 6-8) 0.58 7.5 -98.29 3 3 2 36 203.717 7

Activity (Go SEA)

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