UCSF

ZINC04056658

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 34 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) 3.56 11.64 -58.69 2 7 1 72 470.565 8
Mid Mid (pH 6-8) 3.56 9.43 -20.51 1 7 0 71 469.557 8

Activity (Go SEA)

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