UCSF

ZINC37871277

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 14 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) 1.73 6.91 -45.72 2 2 1 40 189.282 4
Mid Mid (pH 6-8) 1.73 5.83 -8.58 1 2 0 36 188.274 4

Activity (Go SEA)

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