UCSF

ZINC36874238

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 1.52 5.96 -50.32 3 4 1 55 258.345 3
Mid Mid (pH 6-8) 1.52 6.08 -94.34 4 4 2 56 259.353 3

Activity (Go SEA)

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