UCSF

ZINC53398360

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 15 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) 0.67 1.79 -6.77 0 5 0 42 216.281 5
Mid Mid (pH 6-8) 0.67 4.09 -39.7 1 5 1 43 217.289 5

Activity (Go SEA)

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