UCSF

ZINC37098620

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) -0.10 -0.49 -7.59 1 5 0 53 221.326 4
Mid Mid (pH 6-8) -0.10 0.62 -51.38 2 5 1 57 222.334 4

Activity (Go SEA)

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