UCSF

ZINC40520050

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 24 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) 0.74 3.65 -14.11 0 8 0 75 331.376 3
Mid Mid (pH 6-8) 0.74 6.16 -46.26 1 8 1 76 332.384 3

Activity (Go SEA)

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