UCSF

ZINC36992501

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.50 4.33 -5.35 2 3 0 41 277.389 6
Mid Mid (pH 6-8) 3.50 5.38 -36.17 3 3 1 46 278.397 6

Activity (Go SEA)

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