UCSF

ZINC23634851

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2009 23 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) 6.56 11.12 -7.87 1 2 0 25 365.691 4
Mid Mid (pH 6-8) 6.56 11.55 -32.73 2 2 1 26 366.699 4

Activity (Go SEA)

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