UCSF

ZINC20072404

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 Yes

Other Names:

MFCD11155075

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) 3.09 9.5 -117.83 3 2 2 21 248.414 5
Mid Mid (pH 6-8) 3.09 8.19 -31.8 2 2 1 16 247.406 5

Activity (Go SEA)

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