UCSF

ZINC37853582

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 2.44 3.83 -5.19 2 3 0 41 241.375 11
Mid Mid (pH 6-8) 2.44 5.22 -40.8 3 3 1 46 242.383 11

Activity (Go SEA)

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