UCSF

ZINC22576661

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 26 Yes

Other Names:

MFCD09865401

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) 4.79 7.92 -47.44 3 2 1 29 377.352 7
Mid Mid (pH 6-8) 4.79 9.8 -129.24 4 2 2 33 378.36 7

Activity (Go SEA)

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