UCSF

ZINC12936369

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 29 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) 1.55 7.73 -56.94 2 8 1 85 399.471 7
Mid Mid (pH 6-8) 1.55 5.27 -25.05 1 8 0 84 398.463 7

Activity (Go SEA)

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