UCSF

ZINC37055505

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 0.97 0.9 -8.99 2 5 0 67 283.397 3
Mid Mid (pH 6-8) 0.97 3.12 -45.04 3 5 1 68 284.405 3

Activity (Go SEA)

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