UCSF

ZINC43909656

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 17 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) 3.94 9.36 -100.26 3 2 2 21 244.467 9
Mid Mid (pH 6-8) 3.94 8.34 -28.44 2 2 1 16 243.459 9

Activity (Go SEA)

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