UCSF

ZINC37014908

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 3.02 5.07 -59.68 4 3 1 57 283.342 3
Mid Mid (pH 6-8) 3.02 4.78 -8.09 3 3 0 55 282.334 3

Activity (Go SEA)

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