UCSF

ZINC20001078

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 17 Yes

Other Names:

MFCD04552981

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) 1.99 6.38 -41.64 1 5 -1 65 224.247 3
Mid Mid (pH 6-8) 1.99 6.39 -9.77 2 5 0 66 225.255 3

Activity (Go SEA)

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