UCSF

ZINC44516957

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 15 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) 0.73 4.36 -78.71 4 3 2 33 213.369 3
Mid Mid (pH 6-8) 0.73 4.08 -95.46 4 3 2 33 213.369 3
Mid Mid (pH 6-8) 0.73 5.42 -175.16 5 3 3 38 214.377 3

Activity (Go SEA)

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