UCSF

ZINC37076642

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.78 5.78 -30.91 2 3 1 43 214.31 6
Mid Mid (pH 6-8) 1.78 4.81 -4.96 1 3 0 38 213.302 6

Activity (Go SEA)

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