UCSF

ZINC20143097

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 3.55 6.47 -37.52 3 2 1 29 283.386 3
Mid Mid (pH 6-8) 3.55 7.7 -117.91 4 2 2 33 284.394 3

Activity (Go SEA)

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