UCSF

ZINC36974706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 5.44 7.66 -3.79 2 2 0 32 310.224 5
Mid Mid (pH 6-8) 5.44 8.41 -34.68 1 2 -1 35 309.216 5

Activity (Go SEA)

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