UCSF

ZINC37843030

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 No

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) 2.63 4.56 -46.81 0 4 -1 61 318.205 5
Lo Low (pH 4.5-6) 2.63 4.52 -12.22 1 4 0 59 319.213 5
Lo Low (pH 4.5-6) 2.63 5.06 -39.78 1 4 0 62 319.213 5

Activity (Go SEA)

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