UCSF

ZINC37803961

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.30 6.08 -50.63 4 4 1 64 286.399 4
Mid Mid (pH 6-8) 2.30 5.77 -10.92 3 4 0 62 285.391 4

Activity (Go SEA)

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