UCSF

ZINC36389274

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 21 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) 4.21 9.43 -132.39 5 2 2 44 290.495 9
Mid Mid (pH 6-8) 4.21 8.76 -47.45 4 2 1 40 289.487 9

Activity (Go SEA)

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