UCSF

ZINC37803323

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 Yes

Other Names:

MFCD12769641

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) -0.94 3.09 -46.17 3 4 1 61 206.269 4
Hi High (pH 8-9.5) -0.94 2.71 -7.88 2 4 0 59 205.261 4
Lo Low (pH 4.5-6) -0.94 2.82 -89.45 4 4 2 62 207.277 4

Activity (Go SEA)

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