UCSF

ZINC44675854

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 19 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) 0.91 7.87 -38.54 4 2 1 43 253.369 5
Mid Mid (pH 6-8) 0.91 8.22 -128.42 5 2 2 44 254.377 5

Activity (Go SEA)

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