UCSF

ZINC19687556

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 15 Yes

Other Names:

MFCD11586168

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) -2.03 -2.81 -54.5 4 6 1 80 215.277 3
Hi High (pH 8-9.5) -2.03 -3.61 -16.68 3 6 0 79 214.269 3
Mid Mid (pH 6-8) -2.03 -1.29 -55.43 4 6 1 80 215.277 3

Activity (Go SEA)

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