UCSF

ZINC15937458

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.57 1.38 -11.83 4 6 0 100 323.328 3
Lo Low (pH 4.5-6) 1.57 1.63 -36.98 5 6 1 101 324.336 3

Activity (Go SEA)

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