UCSF

ZINC19436837

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 14 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) 0.25 0.7 -41.31 4 4 1 66 203.306 6
Mid Mid (pH 6-8) 0.25 0.41 -4.94 3 4 0 64 202.298 6

Activity (Go SEA)

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