UCSF

ZINC37869976

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 15 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) 1.92 3.16 -37.92 4 3 1 60 207.297 4
Mid Mid (pH 6-8) 1.92 2.02 -7.99 3 3 0 55 206.289 4

Activity (Go SEA)

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