UCSF

ZINC37042788

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 No

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) 0.18 3.76 -48.3 3 5 1 66 284.405 3
Mid Mid (pH 6-8) 0.18 2.54 -16.19 2 5 0 61 283.397 3

Activity (Go SEA)

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