UCSF

ZINC20487301

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 26 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) 3.73 5.85 -12.4 1 6 0 76 394.88 4
Mid Mid (pH 6-8) 3.73 5.9 -40.94 0 6 -1 78 393.872 4

Activity (Go SEA)

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