UCSF

ZINC21948382

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 21 No

Other Names:

MFCD09743134

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) -0.48 6.75 -60.99 3 8 0 128 288.263 3
Mid Mid (pH 6-8) -0.48 6.29 -45.12 2 8 -1 127 287.255 3

Activity (Go SEA)

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