UCSF

ZINC12504140

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) -2.30 -4.93 -12.56 6 9 0 145 266.261 2
Lo Low (pH 4.5-6) -2.30 -4.07 -111.94 8 9 2 148 268.277 2
Lo Low (pH 4.5-6) -2.30 -8.53 -101.43 8 9 2 148 268.277 2

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