UCSF

ZINC37827021

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.51 7.62 -40.86 2 4 1 37 286.399 2
Mid Mid (pH 6-8) 1.51 5.44 -8.96 1 4 0 36 285.391 2

Activity (Go SEA)

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